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(+)-7.alpha.,11.alpha.-trans-Humulene-1,8-dione
SpectraBase Compound ID 7b7hYK8bq2M
InChI InChI=1S/C15H24O2/c1-11-6-5-9-15(3,4)10-14(17)12(2)7-8-13(11)16/h5,9,11-12H,6-8,10H2,1-4H3/b9-5+/t11-,12+/m1/s1
InChIKey MSVVNYKZJZHIJV-UEUGTDCTSA-N
Mol Weight 236.35 g/mol
Molecular Formula C15H24O2
Exact Mass 236.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7MnhKxvSVHv
Name (+)-7.alpha.,11.alpha.-trans-Humulene-1,8-dione
Alternate Name(s) (2S,6R)-2,6,10,10-tetramethyl-8-cycloundecene-1,5-dione (2S,6R,8E)-2,6,10,10-tetramethylcycloundec-8-ene-1,5-dione
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Formula C15H24O2
InChI InChI=1S/C15H24O2/c1-11-6-5-9-15(3,4)10-14(17)12(2)7-8-13(11)16/h5,9,11-12H,6-8,10H2,1-4H3/b9-5+/t11-,12+/m1/s1
InChIKey MSVVNYKZJZHIJV-UEUGTDCTSA-N
Molecular Weight 236.355 g/mol
SMILES C1(CC(\C=C\C[C@](C(CC[C@@]1(C)[H])=O)(C)[H])(C)C)=O
SPLASH splash10-02t9-3920000000-5e9ffb81989e0c110650
Source of Spectrum F-50-4750-6
Wiley ID 1238861