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Bicyclo[3.2.2]nona-3,6-dien-2-one, 4-(1-methylethyl)-, (.+-.)-
SpectraBase Compound ID Igkd7rnmgc9
InChI InChI=1S/C12H16O/c1-8(2)11-7-12(13)10-5-3-9(11)4-6-10/h3,5,7-10H,4,6H2,1-2H3
InChIKey WNDHRWVXEFLALM-UHFFFAOYSA-N
Mol Weight 176.26 g/mol
Molecular Formula C12H16O
Exact Mass 176.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1pko9HoE5I4
Name Bicyclo[3.2.2]nona-3,6-dien-2-one, 4-(1-methylethyl)-, (.+-.)-
CAS Registry Number 96598-42-4
Comments Less than 3 mono-isotopic peaks
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Formula C12H16O
InChI InChI=1S/C12H16O/c1-8(2)11-7-12(13)10-5-3-9(11)4-6-10/h3,5,7-10H,4,6H2,1-2H3
InChIKey WNDHRWVXEFLALM-UHFFFAOYSA-N
Molecular Weight 176.259 g/mol
SMILES C1=C(C2C=CC(C1=O)CC2)C(C)C
SPLASH splash10-003r-0900000000-c5c3da3001140e678366
Source of Spectrum AJ-58-214-20
Synonyms 4-Isopropylbicyclo[3.2.2.]nona-3,6-dien-2-one 4-isopropylbicyclo[3.2.2]nona-3,6-dien-2-one
Wiley ID 1172789