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((1R,2S)-2-Mercapto-1-methyl-3-phenyl-propyl)-carbamic acid methyl ester
SpectraBase Compound ID EgoDh679ZA2
InChI InChI=1S/C12H17NO2S/c1-9(13-12(14)15-2)11(16)8-10-6-4-3-5-7-10/h3-7,9,11,16H,8H2,1-2H3,(H,13,14)/t9-,11+/m1/s1
InChIKey GBBLYBXBOPFPTH-KOLCDFICSA-N
Mol Weight 239.33 g/mol
Molecular Formula C12H17NO2S
Exact Mass 239.098 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JRuevXRWIjO
Name ((1R,2S)-2-Mercapto-1-methyl-3-phenyl-propyl)-carbamic acid methyl ester
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Formula C12H17NO2S
InChI InChI=1S/C12H17NO2S/c1-9(13-12(14)15-2)11(16)8-10-6-4-3-5-7-10/h3-7,9,11,16H,8H2,1-2H3,(H,13,14)/t9-,11+/m1/s1
InChIKey GBBLYBXBOPFPTH-KOLCDFICSA-N
Molecular Weight 239.333 g/mol
SMILES N(C(=O)OC)[C@@]([C@](Cc1ccccc1)(S)[H])(C)[H]
SPLASH splash10-0udi-2910000000-40a9980c8a709582d025
Source of Spectrum C5-2002-1810-3
Synonyms (S,R)-(2-Mercapto-1-methyl-3-phenylpropyl)carbamic acid methyl ester Methyl (1R,2S)-1-methyl-3-phenyl-2-sulfanylpropylcarbamate
Wiley ID 1617772