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2.alpha.-Propionyl-3.beta.-p-tolylbicyclo[3.2.1]octane
SpectraBase Compound ID FWZH6HxVejI
InChI InChI=1S/C18H24O/c1-3-17(19)18-15-9-6-13(10-15)11-16(18)14-7-4-12(2)5-8-14/h4-5,7-8,13,15-16,18H,3,6,9-11H2,1-2H3/t13?,15?,16-,18+/m1/s1
InChIKey ORQWSYNATRIGCX-SPMVYCQMSA-N
Mol Weight 256.39 g/mol
Molecular Formula C18H24O
Exact Mass 256.182715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KRSMXeF4Izj
Name 2.alpha.-Propionyl-3.beta.-p-tolylbicyclo[3.2.1]octane
Alternate Name(s) 1-[(2S,3S)-3-(4-methylphenyl)bicyclo[3.2.1]oct-2-yl]-1-propanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H24O
InChI InChI=1S/C18H24O/c1-3-17(19)18-15-9-6-13(10-15)11-16(18)14-7-4-12(2)5-8-14/h4-5,7-8,13,15-16,18H,3,6,9-11H2,1-2H3/t13?,15?,16-,18+/m1/s1
InChIKey ORQWSYNATRIGCX-SPMVYCQMSA-N
Molecular Weight 256.389 g/mol
SMILES C12[C@@]([C@](CC(CC2)C1)(c1ccc(cc1)C)[H])(C(=O)CC)[H]
SPLASH splash10-0a4i-0980000000-707b03649870f297a8f7
Source of Spectrum J-66-7901-6
Wiley ID 1568466