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(S,R)-1-[1-(1-Mercapto-3-phenylpropyl)heptyl]carbamic acid methyl ester
SpectraBase Compound ID JxTqHz6zNBx
InChI InChI=1S/C18H29NO2S/c1-3-4-5-9-12-16(19-18(20)21-2)17(22)14-13-15-10-7-6-8-11-15/h6-8,10-11,16-17,22H,3-5,9,12-14H2,1-2H3,(H,19,20)/t16-,17+/m1/s1
InChIKey BNDVVFPOFGOCBA-SJORKVTESA-N
Mol Weight 323.5 g/mol
Molecular Formula C18H29NO2S
Exact Mass 323.1919 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J59r7awoKrN
Name (S,R)-1-[1-(1-Mercapto-3-phenylpropyl)heptyl]carbamic acid methyl ester
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Formula C18H29NO2S
InChI InChI=1S/C18H29NO2S/c1-3-4-5-9-12-16(19-18(20)21-2)17(22)14-13-15-10-7-6-8-11-15/h6-8,10-11,16-17,22H,3-5,9,12-14H2,1-2H3,(H,19,20)/t16-,17+/m1/s1
InChIKey BNDVVFPOFGOCBA-SJORKVTESA-N
Molecular Weight 323.495 g/mol
SMILES N(C(=O)OC)[C@@]([C@](CCc1ccccc1)(S)[H])(CCCCCC)[H]
SPLASH splash10-00di-2900000000-d60d055b9320144bf835
Source of Spectrum C5-2002-1811-3
Wiley ID 1617767