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(1'R,2'S,5'R)-5'-Methyl-2'-(1"-methylethyl)cyclohexyl 2-acetylbenzoate
SpectraBase Compound ID BGYqxJHC34Z
InChI InChI=1S/C19H26O3/c1-12(2)15-10-9-13(3)11-18(15)22-19(21)17-8-6-5-7-16(17)14(4)20/h5-8,12-13,15,18H,9-11H2,1-4H3/t13-,15+,18-/m1/s1
InChIKey VQXHPVMQYNESEQ-QIIPPGSGSA-N
Mol Weight 302.41 g/mol
Molecular Formula C19H26O3
Exact Mass 302.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1JKv2qHtWGq
Name (1'R,2'S,5'R)-5'-Methyl-2'-(1"-methylethyl)cyclohexyl 2-acetylbenzoate
Alternate Name(s) 2-Acetylbenzoic acid[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl]ester 2-Acetylbenzoic acid[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]ester 5'-Methyl-2'-(1''-methylethyl)cyclohexyl 2-acetylbenzoate [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl]2-acetylbenzoate [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]2-ethanoylbenzoate [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]2-acetylbenzoate 2-Acetylbenzoic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-acetylbenzoate [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] 2-acetylbenzoate [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 2-ethanoylbenzoate
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Formula C19H26O3
InChI InChI=1S/C19H26O3/c1-12(2)15-10-9-13(3)11-18(15)22-19(21)17-8-6-5-7-16(17)14(4)20/h5-8,12-13,15,18H,9-11H2,1-4H3/t13-,15+,18-/m1/s1
InChIKey VQXHPVMQYNESEQ-QIIPPGSGSA-N
Molecular Weight 302.414 g/mol
SMILES C(c1c(C(=O)C)cccc1)(O[C@]1([C@@](CC[C@](C1)(C)[H])(C(C)C)[H])[H])=O
SPLASH splash10-0002-3900000000-751d40c3d5915e5302e0
Source of Spectrum H-86-2891-2
Wiley ID 1525644