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(1S,5R)-2-Acetyl-2,5-dimethylcyclohexan-1-ol isomer
SpectraBase Compound ID 2imGpQ63s5R
InChI InChI=1S/C10H18O2/c1-7-4-5-10(3,8(2)11)9(12)6-7/h7,9,12H,4-6H2,1-3H3/t7-,9+,10?/m1/s1
InChIKey VNWBVDQGCGSJJU-IKZKJGMZSA-N
Mol Weight 170.25 g/mol
Molecular Formula C10H18O2
Exact Mass 170.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3nq6g0r9Ps
Name (1S,5R)-2-Acetyl-2,5-dimethylcyclohexan-1-ol isomer
Alternate Name(s) 1-[(2S,4R)-1,4-dimethyl-2-oxidanyl-cyclohexyl]ethanone 1-[(2S,4R)-2-hydroxy-1,4-dimethylcyclohexyl]ethanone 1-[(2S,4R)-2-hydroxy-1,4-dimethyl-cyclohexyl]ethanone
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Formula C10H18O2
InChI InChI=1S/C10H18O2/c1-7-4-5-10(3,8(2)11)9(12)6-7/h7,9,12H,4-6H2,1-3H3/t7-,9+,10?/m1/s1
InChIKey VNWBVDQGCGSJJU-IKZKJGMZSA-N
Molecular Weight 170.252 g/mol
SMILES O[C@@]1(C(CC[C@@](C)(C1)[H])(C(=O)C)C)[H]
SPLASH splash10-05mx-9200000000-5f0912785831a711ba10
Source of Spectrum KC-0-3793-4
Wiley ID 832006