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

SpectraBase Compound ID	2M0fDcB0FZ8
InChI	InChI=1S/C22H16N2O4/c23-13-16(21(25)24-14-15-6-2-1-3-7-15)12-17-10-11-20(28-17)18-8-4-5-9-19(18)22(26)27/h1-12H,14H2,(H,24,25)(H,26,27)/b16-12+
InChIKey	ACHZJXREXLSCNV-FOWTUZBSSA-N Google Search
Mol Weight	372.38 g/mol
Molecular Formula	C22H16N2O4
Exact Mass	372.111007 g/mol

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SpectraBase Spectrum ID	1B5GmGzRwTH
Name	2-{5-[(1E)-3-(benzylamino)-2-cyano-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/C22H16N2O4/c23-13-16(21(25)24-14-15-6-2-1-3-7-15)12-17-10-11-20(28-17)18-8-4-5-9-19(18)22(26)27/h1-12H,14H2,(H,24,25)(H,26,27)/b16-12+
InChIKey	ACHZJXREXLSCNV-FOWTUZBSSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_11843
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: 1003803; UBI_ID: UBI-011846
Synonyms	2-{5-[3-(benzylamino)-2-cyano-3-oxo-1-propenyl]-2-furyl}benzoic acid
Temperature	318 °C