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(1.beta.)-2.beta.-(2.alpha.-Hydroxymethyl)-(1-.beta.-methylcyclopentyl)-2.alpha.-methylcyclohexyl benzoate
SpectraBase Compound ID EmSTcyvxqMy
InChI InChI=1S/C21H30O3/c1-20(14-8-11-17(20)15-22)21(2)13-7-6-12-18(21)24-19(23)16-9-4-3-5-10-16/h3-5,9-10,17-18,22H,6-8,11-15H2,1-2H3/t17-,18+,20-,21-/m0/s1
InChIKey HANOASLOIMPJFG-YHELAOLJSA-N
Mol Weight 330.47 g/mol
Molecular Formula C21H30O3
Exact Mass 330.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ZU6DqSbg0
Name (1.beta.)-2.beta.-(2.alpha.-Hydroxymethyl)-(1-.beta.-methylcyclopentyl)-2.alpha.-methylcyclohexyl benzoate
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Formula C21H30O3
InChI InChI=1S/C21H30O3/c1-20(14-8-11-17(20)15-22)21(2)13-7-6-12-18(21)24-19(23)16-9-4-3-5-10-16/h3-5,9-10,17-18,22H,6-8,11-15H2,1-2H3/t17-,18+,20-,21-/m0/s1
InChIKey HANOASLOIMPJFG-YHELAOLJSA-N
Molecular Weight 330.468 g/mol
SMILES OC[C@]1([C@@]([C@@]2([C@](OC(=O)c3ccccc3)(CCCC2)[H])C)(CCC1)C)[H]
SPLASH splash10-0a4i-0921000000-988d2b45f0c28dccdc2c
Source of Spectrum KC-0-832-23
Synonyms (1R,2R)-2-[(1S,2R)-2-(hydroxymethyl)-1-methylcyclopentyl]-2-methylcyclohexyl benzoate benzoic acid [(1R,2R)-2-[(1S,2R)-2-(hydroxymethyl)-1-methylcyclopentyl]-2-methylcyclohexyl] ester [(1R,2R)-2-[(1S,2R)-2-(hydroxymethyl)-1-methylcyclopentyl]-2-methylcyclohexyl] benzoate [(1R,2R)-2-[(1S,2R)-2-(hydroxymethyl)-1-methyl-cyclopentyl]-2-methyl-cyclohexyl] benzoate
Wiley ID 785447