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4-{2-[5-(4-Chlorobenzylidene)-2,4-dioxothiazolidin-3-yl]acetamido}benzoic acid
SpectraBase Compound ID Gqqxr7kklkt
InChI InChI=1S/C19H13ClN2O5S/c20-13-5-1-11(2-6-13)9-15-17(24)22(19(27)28-15)10-16(23)21-14-7-3-12(4-8-14)18(25)26/h1-9H,10H2,(H,21,23)(H,25,26)
InChIKey UCLZSNNMQPRJBJ-UHFFFAOYSA-N
Mol Weight 416.84 g/mol
Molecular Formula C19H13ClN2O5S
Exact Mass 416.02337 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HatzxgAe8u2
Name 4-{2-[5-(4-Chlorobenzylidene)-2,4-dioxothiazolidin-3-yl]acetamido}benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H13ClN2O5S
InChI InChI=1S/C19H13ClN2O5S/c20-13-5-1-11(2-6-13)9-15-17(24)22(19(27)28-15)10-16(23)21-14-7-3-12(4-8-14)18(25)26/h1-9H,10H2,(H,21,23)(H,25,26)
InChIKey UCLZSNNMQPRJBJ-UHFFFAOYSA-N
Instrument Name Thermo Scientific GCMS model ISQ LT
Ionization Type EI
Literature Reference DOI 10.1002/ardp.202000491
Molecular Weight 416.835 g/mol
SMILES N(C(CN1C(C(=Cc2ccc(cc2)Cl)SC1=O)=O)=O)c1ccc(C(=O)O)cc1
SPLASH splash10-004i-9000000000-82b6ac3938d6f333063a
Source of Spectrum APC-354-14-10
Wiley ID 1853418