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4-{N-[2'-(Methoxycarbonyl)phenyl]thiocarbamoyl}-2-thio-butyric acid
SpectraBase Compound ID 2o3QY0hSeTU
InChI InChI=1S/C13H15NO4S2/c1-18-13(17)8-4-2-3-5-9(8)14-11(20)7-6-10(19)12(15)16/h2-5,10,19H,6-7H2,1H3,(H,14,20)(H,15,16)
InChIKey LVQGCPZHSNGRFE-UHFFFAOYSA-N
Mol Weight 313.39 g/mol
Molecular Formula C13H15NO4S2
Exact Mass 313.04425 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EYMjLFPEBF6
Name 4-{N-[2'-(Methoxycarbonyl)phenyl]thiocarbamoyl}-2-thio-butyric acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15NO4S2
InChI InChI=1S/C13H15NO4S2/c1-18-13(17)8-4-2-3-5-9(8)14-11(20)7-6-10(19)12(15)16/h2-5,10,19H,6-7H2,1H3,(H,14,20)(H,15,16)
InChIKey LVQGCPZHSNGRFE-UHFFFAOYSA-N
Molecular Weight 313.386 g/mol
SMILES N(c1c(C(=O)OC)cccc1)C(CCC(C(=O)O)S)=S
SPLASH splash10-03dl-0900000000-cf0781a6fcc3cf1fae08
Source of Spectrum Y-36-1170-3
Synonyms 4-{N-[2'-(Methoxycarbonyl)phenyl]thiocarbamoyl}(thio)butyric acid 5-[2-(methoxycarbonyl)anilino]-2-sulfanyl-5-thioxopentanoic acid
Wiley ID 762456