3-{2-[(E)-2-nitroethenyl]-1H-pyrrol-1-yl}benzoic acid

SpectraBase Compound ID	1hDDuGOk6j
InChI	InChI=1S/C13H10N2O4/c16-13(17)10-3-1-4-12(9-10)14-7-2-5-11(14)6-8-15(18)19/h1-9H,(H,16,17)/b8-6+
InChIKey	CYNCWVWKWZDOOE-SOFGYWHQSA-N Google Search
Mol Weight	258.23 g/mol
Molecular Formula	C13H10N2O4
Exact Mass	258.064057 g/mol

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SpectraBase Spectrum ID	Fg3huTfamAY
Name	3-{2-[(E)-2-nitroethenyl]-1H-pyrrol-1-yl}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/C13H10N2O4/c16-13(17)10-3-1-4-12(9-10)14-7-2-5-11(14)6-8-15(18)19/h1-9H,(H,16,17)/b8-6+
InChIKey	CYNCWVWKWZDOOE-SOFGYWHQSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_8682
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: D36235; Labnumber: SPDEM5-38689; SBI_ID: SBI-008685
Synonyms	3-{2-[2-nitroethenyl]-1H-pyrrol-1-yl}benzoic acid
Temperature	315 °C