3-{[(2E)-3-(1,3-benzodioxol-5-yl)-2-propenoyl]amino}-1H-indole-2-carboxylic acid

SpectraBase Compound ID	Hnj4W9FdOpT
InChI	InChI=1S/C19H14N2O5/c22-16(8-6-11-5-7-14-15(9-11)26-10-25-14)21-17-12-3-1-2-4-13(12)20-18(17)19(23)24/h1-9,20H,10H2,(H,21,22)(H,23,24)/b8-6+
InChIKey	JKHKOWTVDYDCFZ-SOFGYWHQSA-N Google Search
Mol Weight	350.33 g/mol
Molecular Formula	C19H14N2O5
Exact Mass	350.090272 g/mol

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SpectraBase Spectrum ID	LtBm3UD6K1V
Name	3-{[(2E)-3-(1,3-benzodioxol-5-yl)-2-propenoyl]amino}-1H-indole-2-carboxylic 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/C19H14N2O5/c22-16(8-6-11-5-7-14-15(9-11)26-10-25-14)21-17-12-3-1-2-4-13(12)20-18(17)19(23)24/h1-9,20H,10H2,(H,21,22)(H,23,24)/b8-6+
InChIKey	JKHKOWTVDYDCFZ-SOFGYWHQSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_19475
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: D13784; Labnumber: SIMAK-01303; SBI_ID: SBI-019478
Synonyms	3-{[3-(1,3-benzodioxol-5-yl)-2-propenoyl]amino}-1H-indole-2-carboxylic acid
Temperature	318 °C