4-{3-[(1E)-2-cyano-3-oxo-3-(2-toluidino)-1-propenyl]-2,5-dimethyl-1H-pyrrol-1-yl}-3-methylbenzoic acid

SpectraBase Compound ID	4iZwlAavCCY
InChI	InChI=1S/C25H23N3O3/c1-15-7-5-6-8-22(15)27-24(29)21(14-26)13-20-12-17(3)28(18(20)4)23-10-9-19(25(30)31)11-16(23)2/h5-13H,1-4H3,(H,27,29)(H,30,31)/b21-13+
InChIKey	JCGMHKIAPHYZLM-FYJGNVAPSA-N Google Search
Mol Weight	413.48 g/mol
Molecular Formula	C25H23N3O3
Exact Mass	413.173942 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	KKh8hjGUKQc
Name	4-{3-[(1E)-2-cyano-3-oxo-3-(2-toluidino)-1-propenyl]-2,5-dimethyl-1H-pyrrol-1-yl}-3-methylbenzoic 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/C25H23N3O3/c1-15-7-5-6-8-22(15)27-24(29)21(14-26)13-20-12-17(3)28(18(20)4)23-10-9-19(25(30)31)11-16(23)2/h5-13H,1-4H3,(H,27,29)(H,30,31)/b21-13+
InChIKey	JCGMHKIAPHYZLM-FYJGNVAPSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_11839
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: 1003813; UBI_ID: UBI-011842
Synonyms	4-{3-[2-cyano-3-oxo-3-(2-toluidino)-1-propenyl]-2,5-dimethyl-1H-pyrrol-1-yl}-3-methylbenzoic acid
Temperature	318 °C