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3a,7-Methano-3aH-cyclopentacycloocten-3(4H)-one, 5,6,7,8,9,9a-hexahydro-7-methyl-, (3a.alpha.,7.alpha.,9a.beta.)-(.+-.)-
SpectraBase Compound ID 7x8Xw14yrkA
InChI InChI=1S/C13H18O/c1-12-6-2-7-13(9-12)10(5-8-12)3-4-11(13)14/h3-4,10H,2,5-9H2,1H3/t10-,12+,13-/m1/s1
InChIKey LVTKLVPQQBDSTI-KGYLQXTDSA-N
Mol Weight 190.29 g/mol
Molecular Formula C13H18O
Exact Mass 190.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G76iShpgDbP
Name 3a,7-Methano-3aH-cyclopentacycloocten-3(4H)-one, 5,6,7,8,9,9a-hexahydro-7-methyl-, (3a.alpha.,7.alpha.,9a.beta.)-(.+-.)-
CAS Registry Number 94609-08-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O
InChI InChI=1S/C13H18O/c1-12-6-2-7-13(9-12)10(5-8-12)3-4-11(13)14/h3-4,10H,2,5-9H2,1H3/t10-,12+,13-/m1/s1
InChIKey LVTKLVPQQBDSTI-KGYLQXTDSA-N
Molecular Weight 190.286 g/mol
SMILES [C@]123C(C=C[C@@]3(CC[C@](C1)(C)CCC2)[H])=O
SPLASH splash10-0007-4900000000-255510f7119bd9058b4e
Source of Spectrum H-67-1968-0
Synonyms (1R,5S,8S)-8-methyltricyclo[6.3.1.0(1,5)]dodec-3-en-2-one (1RS,5RS,8SR)-8-methyltricyclo[6.3.1.0(1,5)]dodec-3-en-2-one
Wiley ID 1186996