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2-Buten-1-one, 1-(7,7-dimethyl-3-methylenebicyclo[4.1.0]hept-2-yl)-3-methyl-, [1R-(1.alpha.,2.alpha.,6.alpha.)]-
SpectraBase Compound ID 7UpMXGwpjhm
InChI InChI=1S/C15H22O/c1-9(2)8-12(16)13-10(3)6-7-11-14(13)15(11,4)5/h8,11,13-14H,3,6-7H2,1-2,4-5H3
InChIKey BFJPJDIAJRUDJY-UHFFFAOYSA-N
Mol Weight 218.34 g/mol
Molecular Formula C15H22O
Exact Mass 218.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LuZbfWxI0Fm
Name 2-Buten-1-one, 1-(7,7-dimethyl-3-methylenebicyclo[4.1.0]hept-2-yl)-3-methyl-, [1R-(1.alpha.,2.alpha.,6.alpha.)]-
CAS Registry Number 112069-29-1
Comments Less than 3 mono-isotopic peaks
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Formula C15H22O
InChI InChI=1S/C15H22O/c1-9(2)8-12(16)13-10(3)6-7-11-14(13)15(11,4)5/h8,11,13-14H,3,6-7H2,1-2,4-5H3
InChIKey BFJPJDIAJRUDJY-UHFFFAOYSA-N
Molecular Weight 218.340 g/mol
SMILES C1(C2C(C(C=C(C)C)=O)C(=C)CCC12)(C)C
SPLASH splash10-001i-9000000000-358b7efc624c4021d4ab
Source of Spectrum J-53-545-11
Synonyms 2-Buten-1-one, 1-(7,7-dimethyl-3-methylenebicyclo[4.1.0]hept-2-yl)-3-methyl-, (1.alpha.,2.alpha.,6.alpha.)- 1-(7,7-dimethyl-3-methylenebicyclo[4.1.0]hept-2-yl)-3-methyl-2-buten-1-one 1-[7,7-dimethyl-3-methylenebicyclo[4.1.0]heptane-2-yl]-3-methyl-2-buten-1-one 2-.alpha.-senecioyl-3(10)-carene
Wiley ID 1218351