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(1R*,4S*,7R*)-7-Phenyl-3,3-dimethoxybicyclo[2.2.2]oct-5-en-2-one
SpectraBase Compound ID D9KAL8mJ4HD
InChI InChI=1S/C16H18O3/c1-18-16(19-2)12-8-9-13(15(16)17)14(10-12)11-6-4-3-5-7-11/h3-9,12-14H,10H2,1-2H3/t12-,13-,14+/m1/s1
InChIKey UGTDFIBJDVYXIH-MCIONIFRSA-N
Mol Weight 258.32 g/mol
Molecular Formula C16H18O3
Exact Mass 258.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KrhQ9f1MJEt
Name (1R*,4S*,7R*)-7-Phenyl-3,3-dimethoxybicyclo[2.2.2]oct-5-en-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18O3
InChI InChI=1S/C16H18O3/c1-18-16(19-2)12-8-9-13(15(16)17)14(10-12)11-6-4-3-5-7-11/h3-9,12-14H,10H2,1-2H3/t12-,13-,14+/m1/s1
InChIKey UGTDFIBJDVYXIH-MCIONIFRSA-N
Molecular Weight 258.317 g/mol
SMILES C1(C([C@]2([H])C=C[C@@]1(C[C@]2(c1ccccc1)[H])[H])=O)(OC)OC
SPLASH splash10-0560-9460000000-86aaf5068b01a8b257c2
Source of Spectrum F5-4-2274-22aX
Synonyms (1R,4S,7R)-3,3-dimethoxy-7-phenylbicyclo[2.2.2]oct-5-en-2-one
Wiley ID 1732832