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((1R,2S)-1-Butyl-2-mercapto-4-methyl-pentyl)-carbamic acid methyl ester
SpectraBase Compound ID EPpaMIm4f21
InChI InChI=1S/C12H25NO2S/c1-5-6-7-10(13-12(14)15-4)11(16)8-9(2)3/h9-11,16H,5-8H2,1-4H3,(H,13,14)/t10-,11+/m1/s1
InChIKey ITIFVKCIUBMTGS-MNOVXSKESA-N
Mol Weight 247.4 g/mol
Molecular Formula C12H25NO2S
Exact Mass 247.1606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 70UwvLaOTBS
Name ((1R,2S)-1-Butyl-2-mercapto-4-methyl-pentyl)-carbamic acid methyl ester
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Formula C12H25NO2S
InChI InChI=1S/C12H25NO2S/c1-5-6-7-10(13-12(14)15-4)11(16)8-9(2)3/h9-11,16H,5-8H2,1-4H3,(H,13,14)/t10-,11+/m1/s1
InChIKey ITIFVKCIUBMTGS-MNOVXSKESA-N
Molecular Weight 247.397 g/mol
SMILES N(C(=O)OC)[C@@]([C@](CC(C)C)(S)[H])(CCCC)[H]
SPLASH splash10-0006-2900000000-598eb2f7bfb8b4bd5a18
Source of Spectrum C5-2002-1810-3
Synonyms (S,R)-(1-Butyl-2-mercapto-4-methylpentyl)carbamic acid methyl ester Methyl (1R,2S)-1-butyl-4-methyl-2-sulfanylpentylcarbamate
Wiley ID 1617773