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(1S,3R)-1,3-Dimethyl-3-phenylsulfanylpropyl acetate
SpectraBase Compound ID 6Blzw826NNi
InChI InChI=1S/C13H18O2S/c1-10(15-12(3)14)9-11(2)16-13-7-5-4-6-8-13/h4-8,10-11H,9H2,1-3H3/t10-,11+/m0/s1
InChIKey SIXLJZCSLGTLMK-WDEREUQCSA-N
Mol Weight 238.34 g/mol
Molecular Formula C13H18O2S
Exact Mass 238.102751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5lvpQqZpoV6
Name (1S,3R)-1,3-Dimethyl-3-phenylsulfanylpropyl acetate
Alternate Name(s) (1S,3R)-1-methyl-3-(phenylsulfanyl)butyl acetate
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Formula C13H18O2S
InChI InChI=1S/C13H18O2S/c1-10(15-12(3)14)9-11(2)16-13-7-5-4-6-8-13/h4-8,10-11H,9H2,1-3H3/t10-,11+/m0/s1
InChIKey SIXLJZCSLGTLMK-WDEREUQCSA-N
Molecular Weight 238.345 g/mol
SMILES C(O[C@](C[C@](Sc1ccccc1)(C)[H])(C)[H])(=O)C
SPLASH splash10-0079-0960000000-f0fabe4df7194832eb08
Source of Spectrum KC-0-2978-0
Wiley ID 784753