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

*Links on SpectraBase are not permalinks.
(2E)-4-[3-(Methylsulfanyl)anilino]-4-oxo-2-butenoic acid
SpectraBase Compound ID FNiVd5Ump5V
InChI InChI=1S/C11H11NO3S/c1-16-9-4-2-3-8(7-9)12-10(13)5-6-11(14)15/h2-7H,1H3,(H,12,13)(H,14,15)/b6-5+
InChIKey GRTHEGPBJDWTID-AATRIKPKSA-N
Mol Weight 237.27 g/mol
Molecular Formula C11H11NO3S
Exact Mass 237.045964 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 89wqkw5VgmA
Name (2E)-4-[3-(Methylsulfanyl)anilino]-4-oxo-2-butenoic acid
Alternate Name(s) (E)-4-(3-methylsulfanylanilino)-4-oxo-but-2-enoic acid (E)-4-keto-4-[3-(methylthio)anilino]but-2-enoic acid (E)-4-[(3-methylsulfanylphenyl)amino]-4-oxidanylidene-but-2-enoic acid (E)-4-[3-(methylthio)anilino]-4-oxo-2-butenoic acid 4-[3-(methylsulfanyl)anilino]-4-oxo-2-butenoic acid 4-[3-(Methylthio)anilino]-4-oxobut-2-enoic acid
CAS Registry Number 284488-63-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11NO3S
InChI InChI=1S/C11H11NO3S/c1-16-9-4-2-3-8(7-9)12-10(13)5-6-11(14)15/h2-7H,1H3,(H,12,13)(H,14,15)/b6-5+
InChIKey GRTHEGPBJDWTID-AATRIKPKSA-N
Molecular Weight 237.273 g/mol
SMILES OC(\C=C\C(Nc1cc(SC)ccc1)=O)=O
SPLASH splash10-052r-8900000000-43e331a675c03b04e083
Source of Spectrum AD-0-2532-0
Wiley ID 1433246