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

*Links on SpectraBase are not permalinks.
butanoic acid, 4-[[3-chloro-4-[(2-thienylcarbonyl)amino]phenyl]amino]-4-oxo-
SpectraBase Compound ID J7DRKB6IEKh
InChI InChI=1S/C15H13ClN2O4S/c16-10-8-9(17-13(19)5-6-14(20)21)3-4-11(10)18-15(22)12-2-1-7-23-12/h1-4,7-8H,5-6H2,(H,17,19)(H,18,22)(H,20,21)
InChIKey BEXRNZGAGDXLGU-UHFFFAOYSA-N
Mol Weight 352.79 g/mol
Molecular Formula C15H13ClN2O4S
Exact Mass 352.028456 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 HDmXLRPorxw
Name 4-[3-chloro-4-(2-thenoylamino)anilino]-4-keto-butyric acid
Alternate Name(s) 4-[3-chloro-4-(thiophene-2-carbonylamino)anilino]-4-oxo-butanoic acid 4-[3-chloro-4-[[oxo(thiophen-2-yl)methyl]amino]anilino]-4-oxobutanoic acid 4-[[3-chloranyl-4-(thiophen-2-ylcarbonylamino)phenyl]amino]-4-oxidanylidene-butanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H13ClN2O4S
InChI InChI=1S/C15H13ClN2O4S/c16-10-8-9(17-13(19)5-6-14(20)21)3-4-11(10)18-15(22)12-2-1-7-23-12/h1-4,7-8H,5-6H2,(H,17,19)(H,18,22)(H,20,21)
InChIKey BEXRNZGAGDXLGU-UHFFFAOYSA-N
Molecular Weight 352.792 g/mol
SMILES N(C(c1sccc1)=O)c1ccc(NC(CCC(=O)O)=O)cc1Cl
SPLASH splash10-03xr-4950000000-b0a681120f703527cbdc
Wiley ID 1451707