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Methyl 4-(4-isopropyl-6-hydroxycyclohex-1-en-1-yl)-3-thiabutanoate
SpectraBase Compound ID 4SYAupOB4uo
InChI InChI=1S/C13H22O3S/c1-9(2)10-4-5-11(12(14)6-10)7-17-8-13(15)16-3/h5,9-10,12,14H,4,6-8H2,1-3H3/t10-,12+/m1/s1
InChIKey HUCJQAYNJREIOG-PWSUYJOCSA-N
Mol Weight 258.38 g/mol
Molecular Formula C13H22O3S
Exact Mass 258.128966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6erLl9wOOU3
Name Methyl 4-(4-isopropyl-6-hydroxycyclohex-1-en-1-yl)-3-thiabutanoate
Alternate Name(s) (4R,6S)-Methyl 4-(4-isopropyl-6-hydroxycyclohex-1-en-1-yl)-3-thiabutanoate Methyl {[(6-hydroxy-4-isopropyl-1-cyclohexen-1-yl)methyl]sulfanyl}acetate 2-[[(4R,6S)-6-hydroxy-4-propan-2-yl-1-cyclohexenyl]methylthio]acetic acid methyl ester Methyl 2-[[(4R,6S)-6-hydroxy-4-propan-2-ylcyclohexen-1-yl]methylsulfanyl]acetate Methyl 2-[[(4R,6S)-6-hydroxy-4-isopropyl-cyclohexen-1-yl]methylsulfanyl]acetate Methyl 2-[[(4R,6S)-6-oxidanyl-4-propan-2-yl-cyclohexen-1-yl]methylsulfanyl]ethanoate
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Formula C13H22O3S
InChI InChI=1S/C13H22O3S/c1-9(2)10-4-5-11(12(14)6-10)7-17-8-13(15)16-3/h5,9-10,12,14H,4,6-8H2,1-3H3/t10-,12+/m1/s1
InChIKey HUCJQAYNJREIOG-PWSUYJOCSA-N
Molecular Weight 258.376 g/mol
SMILES O[C@@]1(C(=CC[C@](C1)(C(C)C)[H])CSCC(=O)OC)[H]
SPLASH splash10-0f6x-9300000000-b7f16c3a1397b89fb092
Source of Spectrum KC-0-2133-3
Wiley ID 830838