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5-(2,4-dimethoxyphenyl)-1,7a-dimethyl-(1.alpha.,3a.beta.,4.alpha.,5.alpha.,7a.beta.)-octahydro-1,4-methano-1H-inden-8-one

View entire compound with spectra: 1 MS (GC)

5-(2,4-dimethoxyphenyl)-1,7a-dimethyl-(1.alpha.,3a.beta.,4.alpha.,5.alpha.,7a.beta.)-octahydro-1,4-methano-1H-inden-8-one
SpectraBase Compound ID FeETid3l5sw
InChI InChI=1S/C20H26O3/c1-19-9-7-14(13-6-5-12(22-3)11-16(13)23-4)17-15(19)8-10-20(19,2)18(17)21/h5-6,11,14-15,17H,7-10H2,1-4H3/t14-,15+,17+,19-,20+/m0/s1
InChIKey KKEVCTYMPFNASD-JQZTVVIASA-N
Mol Weight 314.43 g/mol
Molecular Formula C20H26O3
Exact Mass 314.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9wfyGV28EhN
Name 5-(2,4-dimethoxyphenyl)-1,7a-dimethyl-(1.alpha.,3a.beta.,4.alpha.,5.alpha.,7a.beta.)-octahydro-1,4-methano-1H-inden-8-one
CAS Registry Number 114579-43-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26O3
InChI InChI=1S/C20H26O3/c1-19-9-7-14(13-6-5-12(22-3)11-16(13)23-4)17-15(19)8-10-20(19,2)18(17)21/h5-6,11,14-15,17H,7-10H2,1-4H3/t14-,15+,17+,19-,20+/m0/s1
InChIKey KKEVCTYMPFNASD-JQZTVVIASA-N
Molecular Weight 314.425 g/mol
SMILES [C@@]12([C@@]3([C@]([H])(CC2)[C@](C1=O)([C@](c1c(cc(cc1)OC)OC)(CC3)[H])[H])C)C
SPLASH splash10-0fb9-0902000000-b411f28ca0278623478a
Source of Spectrum J-53-3182-9
Synonyms (1R,2S,5R,6S,8R)-5-(2,4-dimethoxyphenyl)-2,8-dimethyltricyclo[4.4.0.0(2,8)]decan-7-one
Wiley ID 1315431