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Methyl 4-[6-(hydroxymethyl)-4-isopropylcyclohex-1-en-1-yl]-3-thiabutanoate
SpectraBase Compound ID GFKlp5e5R9n
InChI InChI=1S/C14H24O3S/c1-10(2)11-4-5-12(13(6-11)7-15)8-18-9-14(16)17-3/h5,10-11,13,15H,4,6-9H2,1-3H3/t11-,13-/m1/s1
InChIKey FQBJVSSQYICXHA-DGCLKSJQSA-N
Mol Weight 272.4 g/mol
Molecular Formula C14H24O3S
Exact Mass 272.144616 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 11U4Em8fFCD
Name Methyl 4-[6-(hydroxymethyl)-4-isopropylcyclohex-1-en-1-yl]-3-thiabutanoate
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Formula C14H24O3S
InChI InChI=1S/C14H24O3S/c1-10(2)11-4-5-12(13(6-11)7-15)8-18-9-14(16)17-3/h5,10-11,13,15H,4,6-9H2,1-3H3/t11-,13-/m1/s1
InChIKey FQBJVSSQYICXHA-DGCLKSJQSA-N
Molecular Weight 272.403 g/mol
SMILES OC[C@]1(C[C@](C(C)C)(CC=C1CSCC(=O)OC)[H])[H]
SPLASH splash10-0006-9810000000-76104e85985f0671d94d
Source of Spectrum KC-0-2134-3
Synonyms (4R,6S)-Methyl 4-[6-(hydroxymethyl)-4-isopropylcyclohex-1-en-1-yl]-3-thiabutanoate Methyl ({[6-(hydroxymethyl)-4-isopropyl-1-cyclohexen-1-yl]methyl}sulfanyl)acetate 2-[[(4R,6S)-6-(hydroxymethyl)-4-propan-2-yl-1-cyclohexenyl]methylthio]acetic acid methyl ester Methyl 2-[[(4R,6S)-6-(hydroxymethyl)-4-propan-2-ylcyclohexen-1-yl]methylsulfanyl]acetate Methyl 2-[[(4R,6S)-6-(hydroxymethyl)-4-isopropyl-cyclohexen-1-yl]methylsulfanyl]acetate Methyl 2-[[(4R,6S)-6-(hydroxymethyl)-4-propan-2-yl-cyclohexen-1-yl]methylsulfanyl]ethanoate
Wiley ID 830832