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4H-pyran-3-carboxylic acid, 6-amino-5-cyano-2-methyl-4-[4-(trifluoromethyl)phenyl]-, phenylmethyl ester
SpectraBase Compound ID gSF3yojmXD
InChI InChI=1S/C22H17F3N2O3/c1-13-18(21(28)29-12-14-5-3-2-4-6-14)19(17(11-26)20(27)30-13)15-7-9-16(10-8-15)22(23,24)25/h2-10,19H,12,27H2,1H3
InChIKey FAVPWIOAYOWVSE-UHFFFAOYSA-N
Mol Weight 414.38 g/mol
Molecular Formula C22H17F3N2O3
Exact Mass 414.119127 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EHWsIptMESG
Name 4H-pyran-3-carboxylic acid, 6-amino-5-cyano-2-methyl-4-[4-(trifluoromethyl)phenyl]-, 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/C22H17F3N2O3/c1-13-18(21(28)29-12-14-5-3-2-4-6-14)19(17(11-26)20(27)30-13)15-7-9-16(10-8-15)22(23,24)25/h2-10,19H,12,27H2,1H3
InChIKey FAVPWIOAYOWVSE-UHFFFAOYSA-N
NMR Offset 16.0087
NMR Spectrometer Frequency 500.133
Observed nucleus 1H
Origin 1H_ASIOH_8516_6840
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: TSH/5636901; IOH_ID: IOH-013844