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Acetic acid, 1-hydroxy-3,3-dimethyl-2-(3-methylbuta-1,3-dienyl)cyclohexylmethyl ester

View entire compound with spectra: 2 MS (GC)

Acetic acid, 1-hydroxy-3,3-dimethyl-2-(3-methylbuta-1,3-dienyl)cyclohexylmethyl ester
SpectraBase Compound ID ERby5PvvYBF
InChI InChI=1S/C16H26O3/c1-12(2)7-8-14-15(4,5)9-6-10-16(14,18)11-19-13(3)17/h7-8,14,18H,1,6,9-11H2,2-5H3/b8-7+
InChIKey MPMZWYGWZKVRGW-BQYQJAHWSA-N
Mol Weight 266.38 g/mol
Molecular Formula C16H26O3
Exact Mass 266.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HYcumnlhnTw
Name Acetic acid, 1-hydroxy-3,3-dimethyl-2-(3-methylbuta-1,3-dienyl)cyclohexylmethyl ester
Alternate Name(s) [1-hydroxy-3,3-dimethyl-2-[(1E)-3-methylbuta-1,3-dienyl]cyclohexyl]methyl acetate [3,3-dimethyl-2-[(1E)-3-methylbuta-1,3-dienyl]-1-oxidanyl-cyclohexyl]methyl ethanoate
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Formula C16H26O3
InChI InChI=1S/C16H26O3/c1-12(2)7-8-14-15(4,5)9-6-10-16(14,18)11-19-13(3)17/h7-8,14,18H,1,6,9-11H2,2-5H3/b8-7+
InChIKey MPMZWYGWZKVRGW-BQYQJAHWSA-N
Molecular Weight 266.381 g/mol
SMILES OC1(C(\C=C\C(=C)C)C(CCC1)(C)C)COC(=O)C
SPLASH splash10-05tf-9700000000-a1000e2cfca485d0db1d
Wiley ID 1486800