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(S,R)-1-[1-(1-Mercapto-3-phenylpropyl)pentyl]carbamic acid methyl ester
SpectraBase Compound ID 7wrPD8Ac3te
InChI InChI=1S/C16H25NO2S/c1-3-4-10-14(17-16(18)19-2)15(20)12-11-13-8-6-5-7-9-13/h5-9,14-15,20H,3-4,10-12H2,1-2H3,(H,17,18)/t14-,15+/m1/s1
InChIKey JZUYTXWCSQBDCO-CABCVRRESA-N
Mol Weight 295.44 g/mol
Molecular Formula C16H25NO2S
Exact Mass 295.1606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AEBV42QdvXF
Name (S,R)-1-[1-(1-Mercapto-3-phenylpropyl)pentyl]carbamic acid methyl ester
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Formula C16H25NO2S
InChI InChI=1S/C16H25NO2S/c1-3-4-10-14(17-16(18)19-2)15(20)12-11-13-8-6-5-7-9-13/h5-9,14-15,20H,3-4,10-12H2,1-2H3,(H,17,18)/t14-,15+/m1/s1
InChIKey JZUYTXWCSQBDCO-CABCVRRESA-N
Molecular Weight 295.441 g/mol
SMILES N(C(=O)OC)[C@@]([C@](CCc1ccccc1)(S)[H])(CCCC)[H]
SPLASH splash10-0006-1900000000-aa92655eb3beb4378530
Source of Spectrum C5-2002-1811-3
Wiley ID 1617768