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(2S,3R,5S)-2-Methyl-5-(1-methylethenyl)-3-(phenylseleno)cyclohexanol isomer

View entire compound with spectra: 2 MS (GC)

(2S,3R,5S)-2-Methyl-5-(1-methylethenyl)-3-(phenylseleno)cyclohexanol isomer
SpectraBase Compound ID G4HXmgnluk0
InChI InChI=1S/C16H22OSe/c1-11(2)13-9-15(17)12(3)16(10-13)18-14-7-5-4-6-8-14/h4-8,12-13,15-17H,1,9-10H2,2-3H3/t12-,13-,15?,16+/m0/s1
InChIKey COCRRJROUMUTST-CMHZKVDGSA-N
Mol Weight 309.32 g/mol
Molecular Formula C16H22OSe
Exact Mass 310.083587 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CN1SVB2QMGS
Name (2S,3R,5S)-2-Methyl-5-(1-methylethenyl)-3-(phenylseleno)cyclohexanol isomer
Alternate Name(s) (2S,3R,5S)-2-Methyl-5-(1-methylethenyl)-3-(phenylseleno)cyclohexanol (2S,3R,5S)-5-isopropenyl-2-methyl-3-(phenylselanyl)cyclohexanol
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Formula C16H22OSe
InChI InChI=1S/C16H22OSe/c1-11(2)13-9-15(17)12(3)16(10-13)18-14-7-5-4-6-8-14/h4-8,12-13,15-17H,1,9-10H2,2-3H3/t12-,13-,15?,16+/m0/s1
InChIKey COCRRJROUMUTST-CMHZKVDGSA-N
Molecular Weight 309.323 g/mol
SMILES OC1[C@@]([C@]([Se]c2ccccc2)(C[C@](C1)(C(=C)C)[H])[H])(C)[H]
SPLASH splash10-0udr-0900000000-05623d28a3e6d8889f8e
Source of Spectrum E1-39-2519-13
Wiley ID 1519066