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1,3,3-trimethyl-7-oxabicyclo[4.1.0]heptane-2,5-dione
SpectraBase Compound ID 3JIw7oQ2AZp
InChI InChI=1S/C9H12O3/c1-8(2)4-5(10)6-9(3,12-6)7(8)11/h6H,4H2,1-3H3
InChIKey VOFRQXZPJRQJIW-UHFFFAOYSA-N
Mol Weight 168.19 g/mol
Molecular Formula C9H12O3
Exact Mass 168.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KGy5OouALJS
Name 1,3,3-trimethyl-7-oxabicyclo[4.1.0]heptane-2,5-dione
Alternate Name(s) 4,4,6-trimethyl-7-oxabicyclo[4.1.0]heptane-2,5-dione 4,4,6-trimethyl-7-oxabicyclo[4.1.0]heptane-2,5-quinone
CAS Registry Number 80713-57-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12O3
InChI InChI=1S/C9H12O3/c1-8(2)4-5(10)6-9(3,12-6)7(8)11/h6H,4H2,1-3H3
InChIKey VOFRQXZPJRQJIW-UHFFFAOYSA-N
Molecular Weight 168.192 g/mol
SMILES C12(C(C(=O)CC(C2=O)(C)C)O1)C
SPLASH splash10-052o-9200000000-b63cbd3c35a62ae41f74
Source of Spectrum H-64-2442-0
Wiley ID 1164323