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1-(5-Bromopyrid-2-yl)-2-isopropyl-5-methylcyclohexanol
SpectraBase Compound ID 427SodKjHqX
InChI InChI=1S/C15H22BrNO/c1-10(2)12-8-7-11(3)9-15(12,18)13-5-4-6-14(16)17-13/h4-6,10-12,18H,7-9H2,1-3H3/t11-,12+,15+/m1/s1
InChIKey ZJDWNDGIZYBAOF-XUJVJEKNSA-N
Mol Weight 312.25 g/mol
Molecular Formula C15H22BrNO
Exact Mass 311.088477 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KP8CuKiAGN5
Name 1-(5-Bromopyrid-2-yl)-2-isopropyl-5-methylcyclohexanol
Alternate Name(s) (1S,2S,5R)-1-(6-Bromo-pyridin-2-yl)-2-isopropyl-5-methyl-cyclohexanol 1-(5-bromo-2-pyridinyl)-2-isopropyl-5-methylcyclohexanol 1-(6-Bromopyrid-2-yl)-2-isopropyl-5-methylcyclohexanol
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Formula C15H22BrNO
InChI InChI=1S/C15H22BrNO/c1-10(2)12-8-7-11(3)9-15(12,18)13-5-4-6-14(16)17-13/h4-6,10-12,18H,7-9H2,1-3H3/t11-,12+,15+/m1/s1
InChIKey ZJDWNDGIZYBAOF-XUJVJEKNSA-N
Molecular Weight 312.251 g/mol
SMILES O[C@]1(c2nc(Br)ccc2)[C@@](CC[C@](C1)(C)[H])(C(C)C)[H]
SPLASH splash10-0ufr-0290000000-e061c45b2ae580a15c2c
Source of Spectrum QC-10-3797-3
Wiley ID 871732