For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(1S*,4R*)-1,3,3-Trimethyl-5-acetoxy-7-phenylbicyclo[2.2.2]octa-5,7-diene-2-one
SpectraBase Compound ID 5LoRvJnOUJp
InChI InChI=1S/C19H20O3/c1-12(20)22-16-11-19(4)14(13-8-6-5-7-9-13)10-15(16)18(2,3)17(19)21/h5-11,15H,1-4H3/t15-,19-/m0/s1
InChIKey VACULIBGSAGOIL-KXBFYZLASA-N
Mol Weight 296.37 g/mol
Molecular Formula C19H20O3
Exact Mass 296.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID HCyiGJhDiAF
Name (1S*,4R*)-1,3,3-Trimethyl-5-acetoxy-7-phenylbicyclo[2.2.2]octa-5,7-diene-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20O3
InChI InChI=1S/C19H20O3/c1-12(20)22-16-11-19(4)14(13-8-6-5-7-9-13)10-15(16)18(2,3)17(19)21/h5-11,15H,1-4H3/t15-,19-/m0/s1
InChIKey VACULIBGSAGOIL-KXBFYZLASA-N
Molecular Weight 296.366 g/mol
SMILES [C@@]12(C(=C[C@@](C(=C2)OC(=O)C)(C(C1=O)(C)C)[H])c1ccccc1)C
SPLASH splash10-0040-0940000000-c0897febd4960cba4bf5
Source of Spectrum F-69-453-6
Synonyms 4,7,7-trimethyl-8-oxo-5-phenylbicyclo[2.2.2]octa-2,5-dien-2-yl acetate
Wiley ID 1594559