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(+)-(1S,4R,5S,6R)-6-Phenyl-4,8,8-trimethylbicyclo[3.3.1]nonan-3-one
SpectraBase Compound ID DmzoVDa8y3s
InChI InChI=1S/C18H24O/c1-12-15-9-14(10-17(12)19)18(2,3)11-16(15)13-7-5-4-6-8-13/h4-8,12,14-16H,9-11H2,1-3H3/t12-,14+,15-,16+/m1/s1
InChIKey LNCYPRXXXIEREM-BVUBDWEXSA-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 2TWQpczZHPK
Name (+)-(1S,4R,5S,6R)-6-Phenyl-4,8,8-trimethylbicyclo[3.3.1]nonan-3-one
Alternate Name(s) (1S,2R,5S,8R)-2,6,6-trimethyl-8-phenylbicyclo[3.3.1]nonan-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H24O
InChI InChI=1S/C18H24O/c1-12-15-9-14(10-17(12)19)18(2,3)11-16(15)13-7-5-4-6-8-13/h4-8,12,14-16H,9-11H2,1-3H3/t12-,14+,15-,16+/m1/s1
InChIKey LNCYPRXXXIEREM-BVUBDWEXSA-N
Molecular Weight 256.389 g/mol
SMILES [C@@]12([C@@](CC([C@](C2)([H])CC([C@@]1(C)[H])=O)(C)C)(c1ccccc1)[H])[H]
SPLASH splash10-0a4i-3930000000-bbf3792a8cddc8cb36e6
Source of Spectrum F-50-8789-12
Wiley ID 1260382