3-{5-[(1Z)-2-cyano-3-(cyclohexylamino)-3-oxo-1-propenyl]-2-furyl}benzoic acid

SpectraBase Compound ID	G76n0MLwrw4
InChI	InChI=1S/C21H20N2O4/c22-13-16(20(24)23-17-7-2-1-3-8-17)12-18-9-10-19(27-18)14-5-4-6-15(11-14)21(25)26/h4-6,9-12,17H,1-3,7-8H2,(H,23,24)(H,25,26)/b16-12-
InChIKey	SLAWFYLBTYPPFT-VBKFSLOCSA-N Google Search
Mol Weight	364.4 g/mol
Molecular Formula	C21H20N2O4
Exact Mass	364.142307 g/mol

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SpectraBase Spectrum ID	A4rZ5jKfZAo
Name	3-{5-[(1Z)-2-cyano-3-(cyclohexylamino)-3-oxo-1-propenyl]-2-furyl}benzoic acid
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/C21H20N2O4/c22-13-16(20(24)23-17-7-2-1-3-8-17)12-18-9-10-19(27-18)14-5-4-6-15(11-14)21(25)26/h4-6,9-12,17H,1-3,7-8H2,(H,23,24)(H,25,26)/b16-12-
InChIKey	SLAWFYLBTYPPFT-VBKFSLOCSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_14926
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: C26419; Labnumber: PAVL-04167; SBI_ID: SBI-014929
Synonyms	3-{5-[2-cyano-3-(cyclohexylamino)-3-oxo-1-propenyl]-2-furyl}benzoic acid
Temperature	308 °C