4H-pyran-3-carboxylic acid, 6-amino-5-cyano-2-methyl-4-[2-(trifluoromethyl)phenyl]-, methyl ester

SpectraBase Compound ID	JOgIpc4dtKY
InChI	InChI=1S/C16H13F3N2O3/c1-8-12(15(22)23-2)13(10(7-20)14(21)24-8)9-5-3-4-6-11(9)16(17,18)19/h3-6,13H,21H2,1-2H3
InChIKey	MBFPIVAZVAPGQL-UHFFFAOYSA-N Google Search
Mol Weight	338.29 g/mol
Molecular Formula	C16H13F3N2O3
Exact Mass	338.087827 g/mol

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SpectraBase Spectrum ID	H5Xmg83EBvv
Name	4H-pyran-3-carboxylic acid, 6-amino-5-cyano-2-methyl-4-[2-(trifluoromethyl)phenyl]-, methyl 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/C16H13F3N2O3/c1-8-12(15(22)23-2)13(10(7-20)14(21)24-8)9-5-3-4-6-11(9)16(17,18)19/h3-6,13H,21H2,1-2H3
InChIKey	MBFPIVAZVAPGQL-UHFFFAOYSA-N
NMR Offset	16.0087
NMR Spectrometer Frequency	500.133
Observed nucleus	1H
Origin	1H_ASIOH_8516_1067
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: 63TSH5.830; IOH_ID: IOH-008069