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2-[(1S,2S,3S,5R)-3-hydroxy-2-methyl-5-(1-methylethenyl)cyclohexyl]acetic acid methyl ester
SpectraBase Compound ID 3QWSt8QAXSr
InChI InChI=1S/C13H22O3/c1-8(2)10-5-11(7-13(15)16-4)9(3)12(14)6-10/h9-12,14H,1,5-7H2,2-4H3/t9-,10+,11-,12-/m0/s1
InChIKey QVJMQYFKPICOHU-USZNOCQGSA-N
Mol Weight 226.32 g/mol
Molecular Formula C13H22O3
Exact Mass 226.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5SxWpPWhcug
Name 2-[(1S,2S,3S,5R)-3-hydroxy-2-methyl-5-(1-methylethenyl)cyclohexyl]acetic acid methyl ester
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Formula C13H22O3
InChI InChI=1S/C13H22O3/c1-8(2)10-5-11(7-13(15)16-4)9(3)12(14)6-10/h9-12,14H,1,5-7H2,2-4H3/t9-,10+,11-,12-/m0/s1
InChIKey QVJMQYFKPICOHU-USZNOCQGSA-N
Molecular Weight 226.316 g/mol
SMILES O[C@@]1([C@]([C@@](C[C@@](C(=C)C)(C1)[H])(CC(=O)OC)[H])(C)[H])[H]
SPLASH splash10-00yl-6900000000-41ecb2f4b8625245bf9b
Source of Spectrum F-69-5278-2
Synonyms 2-[(1S,2S,3S,5R)-3-hydroxy-5-isopropenyl-2-methyl-cyclohexyl]acetic acid methyl ester Methyl 2-[(1S,2S,3S,5R)-2-methyl-3-oxidanyl-5-prop-1-en-2-yl-cyclohexyl]ethanoate Methyl 2-[(1S,2S,3S,5R)-3-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexyl]acetate Methyl 2-[(1S,2S,3S,5R)-3-hydroxy-5-isopropenyl-2-methyl-cyclohexyl]acetate
Wiley ID 1595369