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(2S)-2-[bis(methylthio)methyleneamino]-3-phenyl-propionic acid methyl ester
SpectraBase Compound ID JIUYKvqOnY8
InChI InChI=1S/C13H17NO2S2/c1-16-12(15)11(14-13(17-2)18-3)9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3/t11-/m0/s1
InChIKey HAAOGFSVGINRLG-NSHDSACASA-N
Mol Weight 283.4 g/mol
Molecular Formula C13H17NO2S2
Exact Mass 283.070071 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KfsyprHryyH
Name (2S)-2-[bis(methylthio)methyleneamino]-3-phenyl-propionic acid methyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C13H17NO2S2
InChI InChI=1S/C13H17NO2S2/c1-16-12(15)11(14-13(17-2)18-3)9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3/t11-/m0/s1
InChIKey HAAOGFSVGINRLG-NSHDSACASA-N
Molecular Weight 283.404 g/mol
SMILES C(=N[C@](C(=O)OC)(Cc1ccccc1)[H])(SC)SC
SPLASH splash10-000i-0090000000-64662c75b092cd780b3f
Source of Spectrum F-49-2106-7
Synonyms (2S)-2-[bis(methylthio)methylideneamino]-3-phenylpropanoic acid methyl ester methyl (2S)-2-[bis(methylsulfanyl)methylideneamino]-3-phenyl-propanoate methyl (2S)-2-[bis(methylsulfanyl)methylideneamino]-3-phenylpropanoate
Wiley ID 1286759