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(1.alpha.)-2.alpha.-Methyl-2.beta.-(1.beta.-methyl-2-methylenecyclopenty)cyclohexyl benzoate
SpectraBase Compound ID 5t23T4U1rL8
InChI InChI=1S/C21H28O2/c1-16-10-9-15-20(16,2)21(3)14-8-7-13-18(21)23-19(22)17-11-5-4-6-12-17/h4-6,11-12,18H,1,7-10,13-15H2,2-3H3/t18-,20-,21-/m0/s1
InChIKey KNIZJMWSDFSKAL-JBACZVJFSA-N
Mol Weight 312.45 g/mol
Molecular Formula C21H28O2
Exact Mass 312.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID tNN4qBLDkY
Name (1.alpha.)-2.alpha.-Methyl-2.beta.-(1.beta.-methyl-2-methylenecyclopenty)cyclohexyl benzoate
Alternate Name(s) benzoic acid[(1S,2R)-2-methyl-2-[(1S)-1-methyl-2-methylene-cyclopentyl]cyclohexyl]ester [(1S,2R)-2-methyl-2-[(1S)-1-methyl-2-methylene-cyclopentyl]cyclohexyl]benzoate [(1S,2R)-2-methyl-2-[(1S)-1-methyl-2-methylidene-cyclopentyl]cyclohexyl]benzoate benzoic acid [(1S,2R)-2-methyl-2-[(1S)-1-methyl-2-methylenecyclopentyl]cyclohexyl] ester [(1S,2R)-2-methyl-2-[(1S)-1-methyl-2-methylidenecyclopentyl]cyclohexyl] benzoate [(1S,2R)-2-methyl-2-[(1S)-1-methyl-2-methylene-cyclopentyl]cyclohexyl] benzoate [(1S,2R)-2-methyl-2-[(1S)-1-methyl-2-methylidene-cyclopentyl]cyclohexyl] benzoate
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Formula C21H28O2
InChI InChI=1S/C21H28O2/c1-16-10-9-15-20(16,2)21(3)14-8-7-13-18(21)23-19(22)17-11-5-4-6-12-17/h4-6,11-12,18H,1,7-10,13-15H2,2-3H3/t18-,20-,21-/m0/s1
InChIKey KNIZJMWSDFSKAL-JBACZVJFSA-N
Molecular Weight 312.453 g/mol
SMILES [C@]1([C@@]2([C@@](OC(=O)c3ccccc3)(CCCC2)[H])C)(C(=C)CCC1)C
SPLASH splash10-0aou-0930000000-82ac3f7c5353cc1fabbc
Source of Spectrum KC-0-832-25
Wiley ID 785444