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3a,9-Dimethyldodecahydro-3H-cyclohepta[d]inden-3-one

View entire compound with spectra: 2 MS (GC)

3a,9-Dimethyldodecahydro-3H-cyclohepta[d]inden-3-one
SpectraBase Compound ID 3HHrmf3s1vq
InChI InChI=1S/C16H26O/c1-12-5-6-13-4-3-9-15(2)14(17)8-11-16(13,15)10-7-12/h12-13H,3-11H2,1-2H3
InChIKey KCGFYLAXKGPNLV-UHFFFAOYSA-N
Mol Weight 234.38 g/mol
Molecular Formula C16H26O
Exact Mass 234.198365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 92YknI8FQlP
Name 3a,9-Dimethyldodecahydro-3H-cyclohepta[d]inden-3-one
Alternate Name(s) 3a,9-Dimethyldodecahydrocyclohepta[d]inden-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H26O
InChI InChI=1S/C16H26O/c1-12-5-6-13-4-3-9-15(2)14(17)8-11-16(13,15)10-7-12/h12-13H,3-11H2,1-2H3
InChIKey KCGFYLAXKGPNLV-UHFFFAOYSA-N
Molecular Weight 234.383 g/mol
SMILES C123C(C(=O)CC3)(CCCC1CCC(CC2)C)C
SPLASH splash10-0563-9510000000-ca428e6787e79ccb1e58
Wiley ID 1485745