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3,4,4-Trimethyl-3-[(1E)-3-oxo-1-butenyl]bicyclo[4.1.0]heptan-2-one
SpectraBase Compound ID FJmk3sWOAr5
InChI InChI=1S/C14H20O2/c1-9(15)5-6-14(4)12(16)11-7-10(11)8-13(14,2)3/h5-6,10-11H,7-8H2,1-4H3/b6-5+
InChIKey BFTCGOUEVOKLHU-AATRIKPKSA-N
Mol Weight 220.31 g/mol
Molecular Formula C14H20O2
Exact Mass 220.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FM0kbslJyRF
Name 3,4,4-Trimethyl-3-[(1E)-3-oxo-1-butenyl]bicyclo[4.1.0]heptan-2-one
Alternate Name(s) 3,3,4-trimethyl-4-[(E)-3-oxidanylidenebut-1-enyl]bicyclo[4.1.0]heptan-5-one 3,3,4-trimethyl-4-[(E)-3-oxobut-1-enyl]-5-bicyclo[4.1.0]heptanone 3,3,4-trimethyl-4-[(E)-3-oxobut-1-enyl]bicyclo[4.1.0]heptan-5-one 3,4,4-Trimethyl-3-(3-oxo-but-1-enyl)-bicyclo[4.1.0]heptan-2-one 3,4,4-trimethyl-3-[(E)-3-oxobut-1-enyl]norcaran-2-one 3-[(E)-3-ketobut-1-enyl]-3,4,4-trimethyl-norcaran-2-one
CAS Registry Number 90242-89-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O2
InChI InChI=1S/C14H20O2/c1-9(15)5-6-14(4)12(16)11-7-10(11)8-13(14,2)3/h5-6,10-11H,7-8H2,1-4H3/b6-5+
InChIKey BFTCGOUEVOKLHU-AATRIKPKSA-N
Molecular Weight 220.312 g/mol
SMILES C1C2CC(C)(C)C(C(C12)=O)(\C=C\C(=O)C)C
SPLASH splash10-00dl-9800000000-286a1df63e2e01f7c261
Source of Spectrum H-67-145-0
Wiley ID 1220109