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3-Cyclohexene-1-methanol-18O, 5-hydroxy-.alpha.,.alpha.,4-trimethyl-, trans-(.+-.)-
SpectraBase Compound ID 5ADkYASseKf
InChI InChI=1S/C10H18O2/c1-7-4-5-8(6-9(7)11)10(2,3)12/h4,8-9,11-12H,5-6H2,1-3H3/t8-,9+/m0/s1/i12+2
InChIKey OMDMTHRBGUBUCO-LLFKEVCWSA-N
Mol Weight 172.25 g/mol
Molecular Formula C10H18O18O
Exact Mass 172.134925 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5RH29npog3I
Name 3-Cyclohexene-1-methanol-18O, 5-hydroxy-.alpha.,.alpha.,4-trimethyl-, trans-(.+-.)-
Alternate Name(s) (+-)-trans-5-hydroxy-.alpha.,.alpha.,4-trimethyl-3-cyclohexene-1-(18)O-methanol
CAS Registry Number 113995-06-5
Comments Original formula: C10H18O[18O]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H18O2
InChI InChI=1S/C10H18O2/c1-7-4-5-8(6-9(7)11)10(2,3)12/h4,8-9,11-12H,5-6H2,1-3H3/t8-,9+/m0/s1/i12+2
InChIKey OMDMTHRBGUBUCO-LLFKEVCWSA-N
Molecular Weight 172.252 g/mol
SMILES O[C@@]1(C[C@@](C([18OH])(C)C)(CC=C1C)[H])[H]
SPLASH splash10-03di-9200000000-97fb3237564763fc12c5
Source of Spectrum O-22-524-3
Wiley ID 1167197