For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(E)-2-[(4-Nitrophenyl)(toluene-4-sulfonylamino)methyl]penta-2,4-dienoic acid phenyl ester
SpectraBase Compound ID 2OtiKxSZWEE
InChI InChI=1S/C25H22N2O6S/c1-3-7-23(25(28)33-21-8-5-4-6-9-21)24(19-12-14-20(15-13-19)27(29)30)26-34(31,32)22-16-10-18(2)11-17-22/h3-17,24,26H,1H2,2H3/b23-7+
InChIKey CABIQNATIBTLNN-HCGXMYGOSA-N
Mol Weight 478.52 g/mol
Molecular Formula C25H22N2O6S
Exact Mass 478.119858 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID CQCdZXpuIlc
Name (E)-2-[(4-Nitrophenyl)(toluene-4-sulfonylamino)methyl]penta-2,4-dienoic acid phenyl ester
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H22N2O6S
InChI InChI=1S/C25H22N2O6S/c1-3-7-23(25(28)33-21-8-5-4-6-9-21)24(19-12-14-20(15-13-19)27(29)30)26-34(31,32)22-16-10-18(2)11-17-22/h3-17,24,26H,1H2,2H3/b23-7+
InChIKey CABIQNATIBTLNN-HCGXMYGOSA-N
Molecular Weight 478.519 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)C(\C(C(Oc1ccccc1)=O)=C/C=C)c1ccc(N(=O)=O)cc1
SPLASH splash10-0006-9000000000-f6af884f77d6120eb7f5
Source of Spectrum F-62-473-8
Synonyms phenyl (2E)-2-[{[(4-methylphenyl)sulfonyl]amino}(4-nitrophenyl)methyl]-2,4-pentadienoate
Wiley ID 1631848