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2-[2-(4-bromophenyl)-1-(4-methylphenyl)-4-[(4-methylphenyl)amino]-5-oxidanylidene-2H-pyrrol-3-yl]ethanoic acid
SpectraBase Compound ID LSRKgTGUkw3
InChI InChI=1S/C26H23BrN2O3/c1-16-3-11-20(12-4-16)28-24-22(15-23(30)31)25(18-7-9-19(27)10-8-18)29(26(24)32)21-13-5-17(2)6-14-21/h3-14,25,28H,15H2,1-2H3,(H,30,31)
InChIKey BVKYQTFDZDBASS-UHFFFAOYSA-N
Mol Weight 491.39 g/mol
Molecular Formula C26H23BrN2O3
Exact Mass 490.089206 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 87GByU59YgB
Name [2-(4-bromophenyl)-1-(4-methylphenyl)-5-oxo-4-(4-toluidino)-2,5-dihydro-1H-pyrrol-3-yl]acetic 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/C26H23BrN2O3/c1-16-3-11-20(12-4-16)28-24-22(15-23(30)31)25(18-7-9-19(27)10-8-18)29(26(24)32)21-13-5-17(2)6-14-21/h3-14,25,28H,15H2,1-2H3,(H,30,31)
InChIKey BVKYQTFDZDBASS-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_8239
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: D35427; Labnumber: RPGE-0214; SBI_ID: SBI-008242
Temperature 318 °C