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3a,7-Methano-3aH-cyclopentacycloocten-3(4H)-one, 5,6,7,8,9,9a-hexahydro-1,7-dimethyl-, (3a.alpha.,7.alpha.,9a.beta.)-(.+-.)-

View entire compound with spectra: 1 MS (GC)

3a,7-Methano-3aH-cyclopentacycloocten-3(4H)-one, 5,6,7,8,9,9a-hexahydro-1,7-dimethyl-, (3a.alpha.,7.alpha.,9a.beta.)-(.+-.)-
SpectraBase Compound ID CDPl5cpuwqj
InChI InChI=1S/C14H20O/c1-10-8-12(15)14-6-3-5-13(2,9-14)7-4-11(10)14/h8,11H,3-7,9H2,1-2H3/t11-,13-,14+/m0/s1
InChIKey OMOQQHIAGUMMAN-FPMFFAJLSA-N
Mol Weight 204.31 g/mol
Molecular Formula C14H20O
Exact Mass 204.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EaRTArebBOh
Name 3a,7-Methano-3aH-cyclopentacycloocten-3(4H)-one, 5,6,7,8,9,9a-hexahydro-1,7-dimethyl-, (3a.alpha.,7.alpha.,9a.beta.)-(.+-.)-
CAS Registry Number 94609-11-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O
InChI InChI=1S/C14H20O/c1-10-8-12(15)14-6-3-5-13(2,9-14)7-4-11(10)14/h8,11H,3-7,9H2,1-2H3/t11-,13-,14+/m0/s1
InChIKey OMOQQHIAGUMMAN-FPMFFAJLSA-N
Molecular Weight 204.313 g/mol
SMILES [C@]123C(C=C([C@@]3(CC[C@](C1)(C)CCC2)[H])C)=O
SPLASH splash10-0w2c-5960000000-469f5769fec35502e8d9
Source of Spectrum H-67-1969-0
Synonyms (1R,5S,8S)-4,8-dimethyltricyclo[6.3.1.0(1,5)]dodec-3-en-2-one (1RS ,5RS,8SR)-4,8-dimethyltricyclo[6.3.1.0(1,5)]dodec-3-en-2-one
Wiley ID 1202317