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4H-Pyrane-3-carboxylic acid, 6-amino-4-(4-chlorophenyl)-5-cyano-2-methyl-, benzyl ester
SpectraBase Compound ID 1jUNIJXpYoz
InChI InChI=1S/C21H17ClN2O3/c1-13-18(21(25)26-12-14-5-3-2-4-6-14)19(17(11-23)20(24)27-13)15-7-9-16(22)10-8-15/h2-10,19H,12,24H2,1H3
InChIKey ZGJZCMUIDDOXPT-UHFFFAOYSA-N
Mol Weight 380.83 g/mol
Molecular Formula C21H17ClN2O3
Exact Mass 380.09277 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JkePgWc285f
Name 4H-pyran-3-carboxylic acid, 6-amino-4-(4-chlorophenyl)-5-cyano-2-methyl-, phenylmethyl ester
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C21H17ClN2O3/c1-13-18(21(25)26-12-14-5-3-2-4-6-14)19(17(11-23)20(24)27-13)15-7-9-16(22)10-8-15/h2-10,19H,12,24H2,1H3
InChIKey ZGJZCMUIDDOXPT-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_4229
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: 63TSH5.942; IOH_ID: IOH-011232