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Benzyl 6-amino-5-cyano-4-(4-fluorophenyl)-2-methyl-4H-pyran-3-carboxylate
SpectraBase Compound ID BJ7x0Iet1xm
InChI InChI=1S/C21H17FN2O3/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 ZLJMANBOWMVHTF-UHFFFAOYSA-N
Mol Weight 364.38 g/mol
Molecular Formula C21H17FN2O3
Exact Mass 364.122321 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 47LHRrodHPj
Name 4H-pyran-3-carboxylic acid, 6-amino-5-cyano-4-(4-fluorophenyl)-2-methyl-, phenylmethyl ester
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C21H17FN2O3/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 ZLJMANBOWMVHTF-UHFFFAOYSA-N
NMR Offset 16.0087
NMR Spectrometer Frequency 500.133
Observed nucleus 1H
Origin 1H_ASIOH_8516_4230
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: 63TSH5.943; IOH_ID: IOH-011233