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((1R,2S)-2-Mercapto-1-methyl-4-phenyl-butyl)-carbamic acid methyl ester
SpectraBase Compound ID CHi3cqqzTwU
InChI InChI=1S/C13H19NO2S/c1-10(14-13(15)16-2)12(17)9-8-11-6-4-3-5-7-11/h3-7,10,12,17H,8-9H2,1-2H3,(H,14,15)/t10-,12+/m1/s1
InChIKey YKYAVARYRGJHDC-PWSUYJOCSA-N
Mol Weight 253.36 g/mol
Molecular Formula C13H19NO2S
Exact Mass 253.11365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5GmkFnO5SvT
Name ((1R,2S)-2-Mercapto-1-methyl-4-phenyl-butyl)-carbamic acid methyl ester
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Formula C13H19NO2S
InChI InChI=1S/C13H19NO2S/c1-10(14-13(15)16-2)12(17)9-8-11-6-4-3-5-7-11/h3-7,10,12,17H,8-9H2,1-2H3,(H,14,15)/t10-,12+/m1/s1
InChIKey YKYAVARYRGJHDC-PWSUYJOCSA-N
Molecular Weight 253.360 g/mol
SMILES N(C(=O)OC)[C@@]([C@](CCc1ccccc1)(S)[H])(C)[H]
SPLASH splash10-0udi-1900000000-3e52ce169592e9e80191
Source of Spectrum C5-2002-1811-3
Synonyms (S,R)-(2-Mercapto-1-methyl-4-phenylbutyl)carbamic acid methyl ester Methyl (1R,2S)-1-methyl-4-phenyl-2-sulfanylbutylcarbamate
Wiley ID 1617769