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2-(3,4-dihydroxy-4-methylcyclohexyl)propan-2-yl acetate
SpectraBase Compound ID AzU6WMwBCRh
InChI InChI=1S/C12H22O4/c1-8(13)16-11(2,3)9-5-6-12(4,15)10(14)7-9/h9-10,14-15H,5-7H2,1-4H3
InChIKey PQFICFQXOLQQMH-UHFFFAOYSA-N
Mol Weight 230.3 g/mol
Molecular Formula C12H22O4
Exact Mass 230.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E3xycsgykJI
Name 2-(3,4-dihydroxy-4-methylcyclohexyl)propan-2-yl acetate
Alternate Name(s) 2-[4-methyl-3,4-bis(oxidanyl)cyclohexyl]propan-2-yl ethanoate Acetic acid 2-(3,4-dihydroxy-4-methylcyclohexyl)propan-2-yl ester [1-(3,4-dihydroxy-4-methyl-cyclohexyl)-1-methyl-ethyl] acetate
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Formula C12H22O4
InChI InChI=1S/C12H22O4/c1-8(13)16-11(2,3)9-5-6-12(4,15)10(14)7-9/h9-10,14-15H,5-7H2,1-4H3
InChIKey PQFICFQXOLQQMH-UHFFFAOYSA-N
Molecular Weight 230.304 g/mol
SMILES OC1CC(CCC1(O)C)C(OC(=O)C)(C)C
SPLASH splash10-076u-3900000000-b2f95584ae5d5a8b3ecf
Source of Spectrum F-54-9019-12
Wiley ID 808159