4-[(1Z)-2-cyano-3-ethoxy-3-oxo-1-propenyl]benzoic acid

SpectraBase Compound ID	CM5PNo4yq8K
InChI	InChI=1S/C13H11NO4/c1-2-18-13(17)11(8-14)7-9-3-5-10(6-4-9)12(15)16/h3-7H,2H2,1H3,(H,15,16)/b11-7-
InChIKey	APDBRVMOZRCWIF-XFFZJAGNSA-N Google Search
Mol Weight	245.23 g/mol
Molecular Formula	C13H11NO4
Exact Mass	245.068808 g/mol

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SpectraBase Spectrum ID	BjHogLNZ3CH
Name	4-[(1Z)-2-cyano-3-ethoxy-3-oxo-1-propenyl]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/C13H11NO4/c1-2-18-13(17)11(8-14)7-9-3-5-10(6-4-9)12(15)16/h3-7H,2H2,1H3,(H,15,16)/b11-7-
InChIKey	APDBRVMOZRCWIF-XFFZJAGNSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_6197
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: 62651; UBI_ID: UBI-006199
Synonyms	4-[2-cyano-3-ethoxy-3-oxo-1-propenyl]benzoic acid
Temperature	308 °C