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(1R,2S,5R)-5-Methyl-2-[1-methyl-1-(4-bromophenyl)ethyl]cyclohexanol
SpectraBase Compound ID 7onnkUI2GuO
InChI InChI=1S/C16H23BrO/c1-11-4-9-14(15(18)10-11)16(2,3)12-5-7-13(17)8-6-12/h5-8,11,14-15,18H,4,9-10H2,1-3H3/t11-,14-,15-/m1/s1
InChIKey FBQOIZMBYXYLIA-KCPJHIHWSA-N
Mol Weight 311.26 g/mol
Molecular Formula C16H23BrO
Exact Mass 310.093228 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HZqrhGhPF9i
Name (1R,2S,5R)-5-Methyl-2-[1-methyl-1-(4-bromophenyl)ethyl]cyclohexanol
Alternate Name(s) (1R,2S,5R)-2-[1-(4-bromophenyl)-1-methylethyl]-5-methylcyclohexanol
Comments Less than 3 mono-isotopic peaks
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Formula C16H23BrO
InChI InChI=1S/C16H23BrO/c1-11-4-9-14(15(18)10-11)16(2,3)12-5-7-13(17)8-6-12/h5-8,11,14-15,18H,4,9-10H2,1-3H3/t11-,14-,15-/m1/s1
InChIKey FBQOIZMBYXYLIA-KCPJHIHWSA-N
Molecular Weight 311.263 g/mol
SMILES O[C@]1([C@](C(c2ccc(cc2)Br)(C)C)(CC[C@@](C)(C1)[H])[H])[H]
SPLASH splash10-0002-0901000000-8cfb0ed5d701215d6b8a
Source of Spectrum J-63-8403-9
Wiley ID 1311433