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1,3-Cyclohexanedione, 2,5,5-trimethyl-
SpectraBase Compound ID 30fhlHGoexS
InChI InChI=1S/C9H14O2/c1-6-7(10)4-9(2,3)5-8(6)11/h6H,4-5H2,1-3H3
InChIKey WJTGLPHMQKJRIX-UHFFFAOYSA-N
Mol Weight 154.21 g/mol
Molecular Formula C9H14O2
Exact Mass 154.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4yxxX64pRZb
Name 1,3-Cyclohexanedione, 2,5,5-trimethyl-
CAS Registry Number 1125-11-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O2
InChI InChI=1S/C9H14O2/c1-6-7(10)4-9(2,3)5-8(6)11/h6H,4-5H2,1-3H3
InChIKey WJTGLPHMQKJRIX-UHFFFAOYSA-N
Molecular Weight 154.209 g/mol
SMILES CC1(C)CC(=O)C(C)C(C1)=O
SPLASH splash10-001i-9100000000-8a70f36ff66f2ee125f8
Source of Spectrum T-67-1404-0
Synonyms 2,5,5-Trimethyl-1,3-cyclohexanedione 2,5,5-trimethylcyclohexane-1,3-dione 2,5,5-trimethylcyclohexane-1,3-quinone 2-Methyldimedone
Wiley ID 1151207