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(2S)-2-[(5-Acetyl-3-nitro-2-thienyl)amino]-3-(methylsulfanyl)propionic acid
SpectraBase Compound ID 1JPrE2h4LEs
InChI InChI=1S/C10H12N2O5S2/c1-5(13)8-3-7(12(16)17)9(19-8)11-6(4-18-2)10(14)15/h3,6,11H,4H2,1-2H3,(H,14,15)/t6-/m1/s1
InChIKey IGLJYGXHMFWQBD-ZCFIWIBFSA-N
Mol Weight 304.34 g/mol
Molecular Formula C10H12N2O5S2
Exact Mass 304.018764 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DKuqKG1fKFo
Name (2S)-2-[(5-Acetyl-3-nitro-2-thienyl)amino]-3-(methylsulfanyl)propionic acid
Comments Less than 3 mono-isotopic peaks
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Formula C10H12N2O5S2
InChI InChI=1S/C10H12N2O5S2/c1-5(13)8-3-7(12(16)17)9(19-8)11-6(4-18-2)10(14)15/h3,6,11H,4H2,1-2H3,(H,14,15)/t6-/m1/s1
InChIKey IGLJYGXHMFWQBD-ZCFIWIBFSA-N
Molecular Weight 304.335 g/mol
SMILES N(c1c(cc(C(=O)C)s1)N(=O)=O)[C@@](C(=O)O)(CSC)[H]
SPLASH splash10-0uf0-0909000000-84cce7ab84945eb340a6
Source of Spectrum O1-57-103-10
Synonyms (2S)-2-[(5-acetyl-3-nitro-2-thienyl)amino]-3-(methylsulfanyl)propanoic acid
Wiley ID 1591420