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5-Cycloheptene-1,4-dione, 2,2,5-trimethyl-
SpectraBase Compound ID HjTB4jwHfQF
InChI InChI=1S/C10H14O2/c1-7-4-5-9(12)10(2,3)6-8(7)11/h4H,5-6H2,1-3H3
InChIKey MSDBNIIXBPLILP-UHFFFAOYSA-N
Mol Weight 166.22 g/mol
Molecular Formula C10H14O2
Exact Mass 166.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KHfEwyjeqmf
Name 5-Cycloheptene-1,4-dione, 2,2,5-trimethyl-
CAS Registry Number 58705-37-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H14O2
InChI InChI=1S/C10H14O2/c1-7-4-5-9(12)10(2,3)6-8(7)11/h4H,5-6H2,1-3H3
InChIKey MSDBNIIXBPLILP-UHFFFAOYSA-N
Molecular Weight 166.220 g/mol
SMILES C1(=O)CC(C(CC=C1C)=O)(C)C
SPLASH splash10-001i-9000000000-bc9fe73c41cca0084a88
Source of Spectrum LQ-1992-4316-0
Synonyms 2,2,5-Trimethyl-5-cycloheptene-1,4-dione 2,2,5-trimethylcyclohept-5-ene-1,4-dione 2,2,5-trimethylcyclohept-5-ene-1,4-quinone
Wiley ID 1162648