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2-[(4-isopropylcyclohexen-1-yl)methylthio]acetic acid methyl ester
SpectraBase Compound ID 7tItk4a3xLC
InChI InChI=1S/C13H22O2S/c1-10(2)12-6-4-11(5-7-12)8-16-9-13(14)15-3/h4,10,12H,5-9H2,1-3H3/t12-/m1/s1
InChIKey LNMNFOKAWMOOBS-GFCCVEGCSA-N
Mol Weight 242.38 g/mol
Molecular Formula C13H22O2S
Exact Mass 242.134051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Km791qc9Dxj
Name 2-[(4-isopropylcyclohexen-1-yl)methylthio]acetic acid methyl ester
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Formula C13H22O2S
InChI InChI=1S/C13H22O2S/c1-10(2)12-6-4-11(5-7-12)8-16-9-13(14)15-3/h4,10,12H,5-9H2,1-3H3/t12-/m1/s1
InChIKey LNMNFOKAWMOOBS-GFCCVEGCSA-N
Molecular Weight 242.377 g/mol
SMILES C1=C(CC[C@@](C1)(C(C)C)[H])CSCC(=O)OC
SPLASH splash10-000f-9300000000-ee63d57c7738975aa520
Source of Spectrum KC-0-2133-3
Synonyms 2-[(4-propan-2-yl-1-cyclohexenyl)methylthio]acetic acid methyl ester Methyl 2-[(4-isopropylcyclohexen-1-yl)methylsulfanyl]acetate Methyl 2-[(4-propan-2-ylcyclohexen-1-yl)methylsulfanyl]acetate Methyl 2-[(4-propan-2-ylcyclohexen-1-yl)methylsulfanyl]ethanoate
Wiley ID 830840