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(E)-9-Hydroxymegastigm-5-ene-3-one
SpectraBase Compound ID FE2lWx9iJDn
InChI InChI=1S/C13H22O2/c1-10-5-4-8-13(2,3)12(10)7-6-11(15)9-14/h6-7,10,12,14H,4-5,8-9H2,1-3H3/b7-6+
InChIKey NIDTVNDGDQEJJM-VOTSOKGWSA-N
Mol Weight 210.32 g/mol
Molecular Formula C13H22O2
Exact Mass 210.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4D7akhyfl8r
Name (E)-9-Hydroxymegastigm-5-ene-3-one
Alternate Name(s) (3E)-1-hydroxy-4-(2,2,6-trimethylcyclohexyl)-3-buten-2-one (E)-9-Hydroxymegastigm-5-ene-3,9-dione (E)-Hydroxy-5,6-dihydro-.beta.-ionone
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Formula C13H22O2
InChI InChI=1S/C13H22O2/c1-10-5-4-8-13(2,3)12(10)7-6-11(15)9-14/h6-7,10,12,14H,4-5,8-9H2,1-3H3/b7-6+
InChIKey NIDTVNDGDQEJJM-VOTSOKGWSA-N
Molecular Weight 210.317 g/mol
SMILES OCC(\C=C\C1C(CCCC1C)(C)C)=O
SPLASH splash10-01ot-9400000000-0e08a7b8bdfd5844780e
Source of Spectrum U-1994-1046-9
Wiley ID 766131