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4-(2,6,6-Trimethyl-1-cyclohexan-4-one-1,2-epoxide)-3-E-buten-2-one
SpectraBase Compound ID JT5kfPIw31S
InChI InChI=1S/C13H18O3/c1-9(14)5-8-13-11(2,3)7-6-10(15)12(13,4)16-13/h5,8H,6-7H2,1-4H3/b8-5+
InChIKey SOCQQEYFJXZQPT-VMPITWQZSA-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 7MjFQqJRNcH
Name 7-Oxabicyclo[4.1.0]heptan-2-one, 1,5,5-trimethyl-6-(3-oxo-1-butenyl)-, (E)-
Alternate Name(s) (E)-4-(2',2',6'-trimethyl-5'-oxo-1',6'-epoxy-1'-cyclohexyl)-3-buten-2-one 1,5,5-trimethyl-6-[(1E)-3-oxo-1-butenyl]-7-oxabicyclo[4.1.0]heptan-2-one
CAS Registry Number 70412-46-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-9(14)5-8-13-11(2,3)7-6-10(15)12(13,4)16-13/h5,8H,6-7H2,1-4H3/b8-5+
InChIKey SOCQQEYFJXZQPT-VMPITWQZSA-N
Molecular Weight 222.284 g/mol
SMILES C12(C(C(=O)CCC2(C)C)(C)O1)\C=C\C(=O)C
SPLASH splash10-006x-6900000000-6977b71a9be98b281238
Source of Spectrum H-62-564-0
Wiley ID 1222535