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2-[(1S,3S,5R)-5-acetyl-3-hydroxy-2-methylene-cyclohexyl]acetic acid methyl ester
SpectraBase Compound ID 2EKMoS4IXSF
InChI InChI=1S/C12H18O4/c1-7-9(6-12(15)16-3)4-10(8(2)13)5-11(7)14/h9-11,14H,1,4-6H2,2-3H3/t9-,10+,11-/m0/s1
InChIKey IYYCPNJXHITELC-AXFHLTTASA-N
Mol Weight 226.27 g/mol
Molecular Formula C12H18O4
Exact Mass 226.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 45ZpW9Ie1CF
Name 2-[(1S,3S,5R)-5-acetyl-3-hydroxy-2-methylene-cyclohexyl]acetic acid methyl ester
Alternate Name(s) Methyl 2-[(1S,3S,5R)-5-acetyl-3-hydroxy-2-methylene-cyclohexyl]acetate Methyl 2-[(1S,3S,5R)-5-acetyl-3-hydroxy-2-methylidenecyclohexyl]acetate Methyl 2-[(1S,3S,5R)-5-ethanoyl-2-methylidene-3-oxidanyl-cyclohexyl]ethanoate
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Formula C12H18O4
InChI InChI=1S/C12H18O4/c1-7-9(6-12(15)16-3)4-10(8(2)13)5-11(7)14/h9-11,14H,1,4-6H2,2-3H3/t9-,10+,11-/m0/s1
InChIKey IYYCPNJXHITELC-AXFHLTTASA-N
Molecular Weight 226.272 g/mol
SMILES O[C@@]1(C([C@@](C[C@](C1)(C(=O)C)[H])(CC(=O)OC)[H])=C)[H]
SPLASH splash10-0pi0-9810000000-a6cafae0fd39e05d75f7
Source of Spectrum F-69-5278-3
Wiley ID 1595368