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4-(3,7,7-Trimethyl-2-oxabicyclo[3.2.0]hept-3-en-1-yl)but-3-en-2-one
SpectraBase Compound ID 7pYIpsCRgly
InChI InChI=1S/C13H18O2/c1-9(14)5-6-13-11(7-10(2)15-13)8-12(13,3)4/h5-7,11H,8H2,1-4H3/b6-5-
InChIKey UFRISTCPIPEZTO-WAYWQWQTSA-N
Mol Weight 206.28 g/mol
Molecular Formula C13H18O2
Exact Mass 206.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IXlFFWyLhPp
Name 4-(3,7,7-Trimethyl-2-oxabicyclo[3.2.0]hept-3-en-1-yl)but-3-en-2-one
CAS Registry Number 54686-00-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O2
InChI InChI=1S/C13H18O2/c1-9(14)5-6-13-11(7-10(2)15-13)8-12(13,3)4/h5-7,11H,8H2,1-4H3/b6-5-
InChIKey UFRISTCPIPEZTO-WAYWQWQTSA-N
Molecular Weight 206.285 g/mol
SMILES CC(\C=C/C12C(CC1C=C(O2)C)(C)C)=O
SPLASH splash10-000l-6900000000-bdecceed19409f080a8e
Synonyms (3Z)-4-(3,7,7-Trimethyl-2-oxabicyclo[3.2.0]hept-3-en-1-yl)-3-buten-2-one (Z)-4-(3,6,6-trimethyl-4-oxabicyclo[3.2.0]hept-2-en-5-yl)-3-buten-2-one (Z)-4-(3,6,6-trimethyl-4-oxabicyclo[3.2.0]hept-2-en-5-yl)but-3-en-2-one
Wiley ID 1481819