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2-[(5,5,8a-Trimethyl-2-methylenedecahydro-1-naphthalenyl)methyl]benzo-1,4-quinone

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-[(5,5,8a-Trimethyl-2-methylenedecahydro-1-naphthalenyl)methyl]benzo-1,4-quinone
SpectraBase Compound ID BmOSCIAueO6
InChI InChI=1S/C21H28O2/c1-14-6-9-19-20(2,3)10-5-11-21(19,4)17(14)13-15-12-16(22)7-8-18(15)23/h7-8,12,17,19H,1,5-6,9-11,13H2,2-4H3/t17-,19+,21+/m0/s1
InChIKey ZRLCSLPEEURTPE-FBBABVLZSA-N
Mol Weight 312.45 g/mol
Molecular Formula C21H28O2
Exact Mass 312.20893 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8RlywBL5J7H
Name 2-[(5,5,8A-Trimethyl-2-methylenedecahydro-1-naphthalenyl)methyl]benzo-1,4-quinone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 312.208930140 u
Formula C21H28O2
InChI InChI=1S/C21H28O2/c1-14-6-9-19-20(2,3)10-5-11-21(19,4)17(14)13-15-12-16(22)7-8-18(15)23/h7-8,12,17,19H,1,5-6,9-11,13H2,2-4H3/t17-,19+,21+/m0/s1
InChIKey ZRLCSLPEEURTPE-FBBABVLZSA-N
Molecular Weight 312.453 g/mol
SMILES [C@]12([C@@](CC3=CC(C=CC3=O)=O)(C(=C)CC[C@@]1(C(C)(C)CCC2)[H])[H])C