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Benzenepropanoic acid, .beta.-[[[4-(acetylamino)phenyl]sulfonyl]amino]-4-chloro-
SpectraBase Compound ID JKcnaTIrvJb
InChI InChI=1S/C17H17ClN2O5S/c1-11(21)19-14-6-8-15(9-7-14)26(24,25)20-16(10-17(22)23)12-2-4-13(18)5-3-12/h2-9,16,20H,10H2,1H3,(H,19,21)(H,22,23)
InChIKey UVQIPZNXTNPIJW-UHFFFAOYSA-N
Mol Weight 396.85 g/mol
Molecular Formula C17H17ClN2O5S
Exact Mass 396.054671 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LQMsTs50l9P
Name Benzenepropanoic acid, .beta.-[[[4-(acetylamino)phenyl]sulfonyl]amino]-4-chloro-
Alternate Name(s) 3-[(4-acetamidophenyl)sulfonylamino]-3-(4-chlorophenyl)propanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17ClN2O5S
InChI InChI=1S/C17H17ClN2O5S/c1-11(21)19-14-6-8-15(9-7-14)26(24,25)20-16(10-17(22)23)12-2-4-13(18)5-3-12/h2-9,16,20H,10H2,1H3,(H,19,21)(H,22,23)
InChIKey UVQIPZNXTNPIJW-UHFFFAOYSA-N
Molecular Weight 396.845 g/mol
SMILES OC(CC(c1ccc(cc1)Cl)NS(c1ccc(cc1)NC(C)=O)(=O)=O)=O
SPLASH splash10-0006-9500000000-2621c02729bf2328e944
Source of Spectrum IY-1-4652-3
Wiley ID 1654506