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(4R*,5S*)-5-Phenylthio-4-octanol acetate
SpectraBase Compound ID 92z4XJVgmWE
InChI InChI=1S/C16H24O2S/c1-4-9-15(18-13(3)17)16(10-5-2)19-14-11-7-6-8-12-14/h6-8,11-12,15-16H,4-5,9-10H2,1-3H3/t15-,16+/m1/s1
InChIKey FRFHNCVXTMDXRC-CVEARBPZSA-N
Mol Weight 280.43 g/mol
Molecular Formula C16H24O2S
Exact Mass 280.149701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L5fvXG0TfRb
Name (4R*,5S*)-5-Phenylthio-4-octanol acetate
Alternate Name(s) (1R,2S)-2-(phenylsulfanyl)-1-propylpentyl acetate
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Formula C16H24O2S
InChI InChI=1S/C16H24O2S/c1-4-9-15(18-13(3)17)16(10-5-2)19-14-11-7-6-8-12-14/h6-8,11-12,15-16H,4-5,9-10H2,1-3H3/t15-,16+/m1/s1
InChIKey FRFHNCVXTMDXRC-CVEARBPZSA-N
Molecular Weight 280.426 g/mol
SMILES [C@](Sc1ccccc1)([C@](OC(=O)C)(CCC)[H])(CCC)[H]
SPLASH splash10-01b9-9720000000-09496a9e442654ee6dd1
Source of Spectrum AJ-69-2103-9
Wiley ID 773849