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R,S-2-ACETYLAMINO-4-[N-(4-BROMOPHENYL)-THIOCARBAMOYLTHIO]-BUTYRIC-ACID
SpectraBase Compound ID LM4XIHUQoBI
InChI InChI=1S/C13H15BrN2O3S2/c1-8(17)15-11(12(18)19)6-7-21-13(20)16-10-4-2-9(14)3-5-10/h2-5,11H,6-7H2,1H3,(H,15,17)(H,16,20)(H,18,19)
InChIKey UPURBWBVIOFXIN-UHFFFAOYSA-N
Mol Weight 391.3 g/mol
Molecular Formula C13H15BrN2O3S2
Exact Mass 389.970748 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5RowzZJ6RsS
Name 2-(Acetylamino0-4-[N-(4"-bromophenyl)thiocarbamoylthio]butyric acid
Comments Less than 3 mono-isotopic peaks
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Formula C13H15BrN2O3S2
InChI InChI=1S/C13H15BrN2O3S2/c1-8(17)15-11(12(18)19)6-7-21-13(20)16-10-4-2-9(14)3-5-10/h2-5,11H,6-7H2,1H3,(H,15,17)(H,16,20)(H,18,19)
InChIKey UPURBWBVIOFXIN-UHFFFAOYSA-N
Molecular Weight 391.298 g/mol
SMILES N(C(SCCC(C(=O)O)NC(=O)C)=S)c1ccc(Br)cc1
SPLASH splash10-02t9-0090000000-14e501f5030676666bed
Source of Spectrum Y-36-1173-3
Synonyms 2-(Acetylamino)-4-[N-(4''-bromophenyl)thiocarbamoylthio]butyric acid 2-acetamido-4-[[(4-bromoanilino)-sulfanylidenemethyl]thio]butanoic acid 2-acetamido-4-[(4-bromophenyl)carbamothioylsulfanyl]butanoic acid
Wiley ID 762435