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7-Oxabicyclo[4.1.0]heptan-2-one, 3,4,4-trimethyl-3-(3-oxo-1-butenyl)-
SpectraBase Compound ID JjYKrG4XZ3f
InChI InChI=1S/C13H18O3/c1-8(14)5-6-13(4)11(15)10-9(16-10)7-12(13,2)3/h5-6,9-10H,7H2,1-4H3/b6-5+
InChIKey UYALNHKHCQPZLZ-AATRIKPKSA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7v4LO7K8zxP
Name 7-Oxabicyclo[4.1.0]heptan-2-one, 3,4,4-trimethyl-3-(3-oxo-1-butenyl)-
Alternate Name(s) (E)-4-(3',4'-epoxy-1',6',6'-trimethyl-2'-oxo-1'-cyclohexyl)-3-buten-2-one (Z)-4-(3',4'-epoxy-1',6',6'-trimethyl-2'-oxo-1'-cyclohexyl)-3-buten-2-one 3,4,4-trimethyl-3-[(1E)-3-oxo-1-butenyl]-7-oxabicyclo[4.1.0]heptan-2-one
CAS Registry Number 80114-26-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-8(14)5-6-13(4)11(15)10-9(16-10)7-12(13,2)3/h5-6,9-10H,7H2,1-4H3/b6-5+
InChIKey UYALNHKHCQPZLZ-AATRIKPKSA-N
Molecular Weight 222.284 g/mol
SMILES C12OC2CC(C(C1=O)(\C=C\C(=O)C)C)(C)C
SPLASH splash10-0095-9600000000-ccafda559b21766441ed
Source of Spectrum H-64-1775-0
Wiley ID 1222533