2-{[(1Z)-3-(benzylamino)-2-cyano-3-oxo-1-propenyl]amino}benzoic acid

SpectraBase Compound ID	Im5fjXtaFVo
InChI	InChI=1S/C18H15N3O3/c19-10-14(17(22)21-11-13-6-2-1-3-7-13)12-20-16-9-5-4-8-15(16)18(23)24/h1-9,12,20H,11H2,(H,21,22)(H,23,24)/b14-12-
InChIKey	MBLLYIQHLFVRJW-OWBHPGMISA-N Google Search
Mol Weight	321.34 g/mol
Molecular Formula	C18H15N3O3
Exact Mass	321.111341 g/mol

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SpectraBase Spectrum ID	73Y971413lt
Name	2-{[(1Z)-3-(benzylamino)-2-cyano-3-oxo-1-propenyl]amino}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/C18H15N3O3/c19-10-14(17(22)21-11-13-6-2-1-3-7-13)12-20-16-9-5-4-8-15(16)18(23)24/h1-9,12,20H,11H2,(H,21,22)(H,23,24)/b14-12-
InChIKey	MBLLYIQHLFVRJW-OWBHPGMISA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_24062
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: D44240; Labnumber: GRAN211-171; SBI_ID: SBI-024066
Synonyms	2-{[3-(benzylamino)-2-cyano-3-oxo-1-propenyl]amino}benzoic acid
Temperature	308 °C