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trans-1-Methyl-2-phenoxycyclohexan-1-ol
SpectraBase Compound ID LLrCC2SGWQV
InChI InChI=1S/C13H18O2/c1-13(14)10-6-5-9-12(13)15-11-7-3-2-4-8-11/h2-4,7-8,12,14H,5-6,9-10H2,1H3/t12-,13-/m1/s1
InChIKey KHASRYCWDJKMIS-CHWSQXEVSA-N
Mol Weight 206.28 g/mol
Molecular Formula C13H18O2
Exact Mass 206.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Ta2RFScYVT
Name trans-1-Methyl-2-phenoxycyclohexan-1-ol
Alternate Name(s) (1R,2R)-1-methyl-2-phenoxycyclohexanol
CAS Registry Number 81455-05-2
Comments Less than 3 mono-isotopic peaks
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Formula C13H18O2
InChI InChI=1S/C13H18O2/c1-13(14)10-6-5-9-12(13)15-11-7-3-2-4-8-11/h2-4,7-8,12,14H,5-6,9-10H2,1H3/t12-,13-/m1/s1
InChIKey KHASRYCWDJKMIS-CHWSQXEVSA-N
Molecular Weight 206.285 g/mol
SMILES O[C@]1([C@](Oc2ccccc2)(CCCC1)[H])C
SPLASH splash10-0006-9010000000-ba9b2d9a601f58ac81f5
Source of Spectrum J-48-446-0
Wiley ID 1204658