Predicting NMR Spectra
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Description: Advanced Chemistry Development offers the industry standard HNMR, CNMR, XNMR, and 2D NMR prediction software and databases.
ACD/Labs.com :: ACD/NMR Predictors Unified Laboratory Intelligence Spectral and Chromatographic Data Handling Chemical Handling and Nomenclature Trainable software for fast and accurate prediction of NMR spectra, chemical shifts, and coupling constants.
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| Page title: | ACD/Labs.com :: ACD/NMR Predictors |
| Keywords: | 2D NMR, ACD/2D NMR, 2D NMR Module, 2D NMR Spectrum, 2D NMR Spectra, COSY, HETCOR, INADEQUATE, Homonuclear Correlation, Heteronuclear Correlation, HMQC, HMBC ACD/CNMR, Carbon Spectra Prediction, Carbon Spectra, Carbon Spectrum, CNMR Spectra, CNMR Spectrum, CNMR Spectra Prediction, C-13, Basic Frequency, Calculate Shifts, Calculated Shifts, Calculation Protocol, Chemical Shift, Chemical Shifts, Confidence Limits, Coupling, Coupling Constant, Coupling Constants, Data Forms Manager, Define Mixture, Discrete Lines, Edit Chemical Shift, Edit Chemical Shifts, Unassigned Chemical Shift, Hz, Integral Curve, Intensity of Quaternary Carbons, J-modulation, Lower Intensity, off-resonance, Patch, Patch-file, Patches, ppm, Quaternary Carbons, Realistic Lines, Scale, Scales, Solvent, Spectral Calculation, Spectral Lines, Spectral Region, Spectrum, Splitting, Structure, Sub-spectra, Sub-spectrum C, Sub-spectrum CH, Sub-spectrum CH2, Sub-spectrum CH3, Substituent Analysis, Table, Table of Chemical Shifts, Training, System Training, Unassigned Chemical Shift, User Database, User Database, 13C NMR spectra, NMR, NMR spectrum, organic structure, chemical shifts, prediction, isomeric structures, isomers, database, experimental chemical shifts, Fluorine Spectra Prediction, Fluorine Spectra, Fluorine Spectrum, FNMR Spectra, FNMR Spectrum, FNMR Spectra Prediction, Database of Fluorine Spectra, Database of FNMR Spectra, FNMR, ACD/XNMR, XNMR, software, chemical structures containing F and P, F-19, Proton Spectra Prediction, Proton Spectra, Proton Spectrum, HNMR Spectra, HNMR Spectrum, HNMR Spectra Prediction, ACD/HNMR, Simulation, HNMR, prediction, Self Training System, Structure Verification, ACD/NNMR, NNMR, nitrogen, nitrogen NMR database, nitrogen chemical shifts, Phosporus Spectra Prediction, Phosphorus Spectra, Phosphorus Spectrum, PNMR Spectra, PNMR Spectrum, PNMR Spectra Prediction, Database of Phosphorus Spectra, Database of PNMR Spectra, PNMR, chemical structures containing F and P, P-31, chemical structures containing P, P-31 databases, predictor algorithm, P-31 chemical shifts, P-31 coupling constants, P-31 NMR database, tautomeric forms, P-31 spectra |
| Description: | Trainable software for fast and accurate prediction of NMR spectra, chemical shifts, and coupling constants. The accuracy of prediction can be further improved through system training with your own data. An internal database calculates accurate NMR spectra under any basic frequency. Explains the predicted shift. Allows you to increase its accuracy of prediction using a Self Training System. Takes into account second order interactions (strong coupling effects) and long-range coupling constants. Uses 3D molecular structure minimization and Karplus relationships to predict proton-proton coupling constants. Simulates experimental conditions -- allows you to specify spectrometer frequency and line widths. Quickly recalculates spectra using your own shifts and coupling constants |
| IP-address: | 204.153.135.195 |
WHOIS Info
| NS | Name Server: DNS-01.ACDLABS.COM Name Server: DNS-02.ACDLABS.COM Name Server: NS.ACDLABS.COM Name Server: NS.ACDLABS.NET |
| WHOIS | Status: clientTransferProhibited |
| Date | Creation Date: 19-dec-1995 Expiration Date: 18-dec-2018 |