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OHERZLWVBJCXOF-UHFFFAOYSA-N
SpectraBase Compound ID EWB76C1hvB5
InChI InChI=1S/C11H16O/c1-11-6-3-2-4-9(11)8-10(12)5-7-11/h8H,2-7H2,1H3
InChIKey OHERZLWVBJCXOF-UHFFFAOYSA-N
Mol Weight 164.25 g/mol
Molecular Formula C11H16O
Exact Mass 164.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8vBRramWNbk
Name 1,2-Dehydro-3-oxo-6-methylbicyclo[4.4.0]decane (D3)
CAS Registry Number 5221-67-0
Comments Note: The molecular formula of the structure shown is C11H16O - which differs from the formula reported for the mass spectrum (C11H13D3O)
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Formula C11H13D3O
InChI InChI=1S/C11H16O/c1-11-6-3-2-4-9(11)8-10(12)5-7-11/h8H,2-7H2,1H3
InChIKey OHERZLWVBJCXOF-UHFFFAOYSA-N
Molecular Weight 164.248 g/mol
SMILES C1(=O)CCC2(C(=C1)CCCC2)C
SPLASH splash10-00p0-6900000000-64a70639ef354ff672c2
Synonyms 2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4a-methyl- (D3) (R)-(-)-10-Methyl-1(9)-octal-2-one (D3) 2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4a-methyl-, (S)- (D3) (R)-(-)-4,4a,5,6,7,8-Hexahydro-4a-methyl-2(3H)-naphthalenone (D3) 4a-Methyl-4,4a,5,6,7,8-hexahydro-2(3H)-naphthalenone (D3) 2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4a.beta.-methyl- (D3) 4a-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-one (D3) 4a-methyl-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one (D3) R-(-)-4,4a,5,6,7,8-Hexahydro-4a-methyl-2(3H)-naphthalinone (D3)
Wiley ID 1489045