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3RS[(3a,4b,5a)]-3,5-diphenyl-4-methyl-4-nitro-1-Cyclohexanone
SpectraBase Compound ID CBV3ZNfWij3
InChI InChI=1S/C19H19NO3/c1-19(20(22)23)17(14-8-4-2-5-9-14)12-16(21)13-18(19)15-10-6-3-7-11-15/h2-11,17-18H,12-13H2,1H3/t17-,18+,19-
InChIKey JYMQXJMLVCCUQU-REPLKXPHSA-N
Mol Weight 309.37 g/mol
Molecular Formula C19H19NO3
Exact Mass 309.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID pZgPiPGXce
Name 3RS[(3a,4b,5a)]-3,5-diphenyl-4-methyl-4-nitro-1-Cyclohexanone
Appearance White needles
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Formula C19H19NO3
InChI InChI=1S/C19H19NO3/c1-19(20(22)23)17(14-8-4-2-5-9-14)12-16(21)13-18(19)15-10-6-3-7-11-15/h2-11,17-18H,12-13H2,1H3/t17-,18+,19-
InChIKey JYMQXJMLVCCUQU-REPLKXPHSA-N
Ionization Type EI
Molecular Weight 309.365 g/mol
SMILES C1[C@]([C@]([C@](CC1=O)(c1ccccc1)[H])([N+](=O)[O-])C)(c1ccccc1)[H]
SPLASH splash10-0lzc-3930000000-3e300fe3f9cc597b4702
Source of Spectrum PT2054365E
Wiley ID 1852777