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3,3-Dimethyl-5a-phenyl-1,2,3,4,5a,7,8,9,10,10a-decahydro-6H-cyclohepta[b]benzofuran-1-one
SpectraBase Compound ID 1qXLjaRA77R
InChI InChI=1S/C21H26O2/c1-20(2)13-17(22)19-16-11-7-4-8-12-21(16,23-18(19)14-20)15-9-5-3-6-10-15/h3,5-6,9-10,16H,4,7-8,11-14H2,1-2H3
InChIKey OKCGCTNEMYOEOL-UHFFFAOYSA-N
Mol Weight 310.44 g/mol
Molecular Formula C21H26O2
Exact Mass 310.19328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gc3MpIwBS0U
Name 3,3-Dimethyl-5a-phenyl-1,2,3,4,5a,7,8,9,10,10a-decahydro-6H-cyclohepta[b]benzofuran-1-one
Alternate Name(s) 3,3-Dimethyl-5a-phenyl-2,3,4,5a,6,7,8,9,10,10a-decahydro-1H-cyclohepta[b][1]benzofuran-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26O2
InChI InChI=1S/C21H26O2/c1-20(2)13-17(22)19-16-11-7-4-8-12-21(16,23-18(19)14-20)15-9-5-3-6-10-15/h3,5-6,9-10,16H,4,7-8,11-14H2,1-2H3
InChIKey OKCGCTNEMYOEOL-UHFFFAOYSA-N
Molecular Weight 310.437 g/mol
SMILES C12=C(OC3(C2CCCCC3)c2ccccc2)CC(CC1=O)(C)C
SPLASH splash10-03xr-5229000000-44924bafe853a06b4693
Source of Spectrum O1-54-178-3
Wiley ID 1590968