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[(R)-1-((S)-1-Mercapto-2-phenyl-ethyl)-heptyl]-carbamic acid methyl ester
SpectraBase Compound ID Hk5AnAobUGR
InChI InChI=1S/C17H27NO2S/c1-3-4-5-9-12-15(18-17(19)20-2)16(21)13-14-10-7-6-8-11-14/h6-8,10-11,15-16,21H,3-5,9,12-13H2,1-2H3,(H,18,19)/t15-,16+/m1/s1
InChIKey FTKFQCJXCVXAEJ-CVEARBPZSA-N
Mol Weight 309.47 g/mol
Molecular Formula C17H27NO2S
Exact Mass 309.17625 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4sql1XCUD0b
Name [(R)-1-((S)-1-Mercapto-2-phenyl-ethyl)-heptyl]-carbamic acid methyl ester
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Formula C17H27NO2S
InChI InChI=1S/C17H27NO2S/c1-3-4-5-9-12-15(18-17(19)20-2)16(21)13-14-10-7-6-8-11-14/h6-8,10-11,15-16,21H,3-5,9,12-13H2,1-2H3,(H,18,19)/t15-,16+/m1/s1
InChIKey FTKFQCJXCVXAEJ-CVEARBPZSA-N
Molecular Weight 309.468 g/mol
SMILES N(C(=O)OC)[C@@]([C@](Cc1ccccc1)(S)[H])(CCCCCC)[H]
SPLASH splash10-00di-6900000000-3ee08b7a5473fe5336a6
Source of Spectrum C5-2002-1811-3
Synonyms (S,R)-[1-(1-Mercapto-2-phenylethyl)heptyl]carbamic acid methyl ester Methyl (1R)-1-[(1S)-2-phenyl-1-sulfanylethyl]heptylcarbamate
Wiley ID 1617770