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2,2,6-Trimethyl-1-(3-oxo-but-1-enyl)-7-oxa-bicyclo[4.1.0]hept-4-en-3-one
SpectraBase Compound ID CsxhOXYxWOC
InChI InChI=1S/C13H16O3/c1-9(14)5-8-13-11(2,3)10(15)6-7-12(13,4)16-13/h5-8H,1-4H3/b8-5+
InChIKey OQJIRPICKJYVES-VMPITWQZSA-N
Mol Weight 220.27 g/mol
Molecular Formula C13H16O3
Exact Mass 220.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8xWzaI3irPL
Name 2,2,6-Trimethyl-1-(3-oxo-but-1-enyl)-7-oxa-bicyclo[4.1.0]hept-4-en-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O3
InChI InChI=1S/C13H16O3/c1-9(14)5-8-13-11(2,3)10(15)6-7-12(13,4)16-13/h5-8H,1-4H3/b8-5+
InChIKey OQJIRPICKJYVES-VMPITWQZSA-N
Molecular Weight 220.268 g/mol
SMILES C=1C2(C(C(C(C1)=O)(C)C)(\C=C\C(C)=O)O2)C
SPLASH splash10-000f-9800000000-a415af04335eed5973c8
Synonyms 1,5,5-trimethyl-6-[(E)-3-oxidanylidenebut-1-enyl]-7-oxabicyclo[4.1.0]hept-2-en-4-one 1,5,5-trimethyl-6-[(E)-3-oxobut-1-enyl]-7-oxabicyclo[4.1.0]hept-2-en-4-one 2,2,6-Trimethyl-1-[(1E)-3-oxo-1-butenyl]-7-oxabicyclo[4.1.0]hept-4-en-3-one 6-[(E)-3-ketobut-1-enyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]hept-2-en-4-one
Wiley ID 1484620