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4-(N-BENZYLTHIOCARBAMOYLTHIO)-BUTYRIC-ACID
SpectraBase Compound ID FV1UjsQXDL5
InChI InChI=1S/C12H15NO2S2/c14-11(15)7-4-8-17-12(16)13-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,13,16)(H,14,15)
InChIKey CIPJQWJCMQRPAN-UHFFFAOYSA-N
Mol Weight 269.38 g/mol
Molecular Formula C12H15NO2S2
Exact Mass 269.054421 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HiZctkHj5Nh
Name 4-(benzylcarbamothioylsulfanyl)butanoic acid
Alternate Name(s) 4-(benzylthiocarbamoylthio)butyric acid 4-[(phenylmethyl)carbamothioylsulfanyl]butanoic acid 4-[[[(phenylmethyl)amino]-sulfanylidenemethyl]thio]butanoic acid
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Formula C12H15NO2S2
InChI InChI=1S/C12H15NO2S2/c14-11(15)7-4-8-17-12(16)13-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,13,16)(H,14,15)
InChIKey CIPJQWJCMQRPAN-UHFFFAOYSA-N
Molecular Weight 269.377 g/mol
SMILES N(C(SCCCC(=O)O)=S)Cc1ccccc1
SPLASH splash10-0006-9200000000-bf8c65630a961b71f9c6
Source of Spectrum Y-36-1170-3
Wiley ID 762458