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1-Cyclohexene-1-carboxaldehyde, 5,5-dimethyl-3-oxo-
SpectraBase Compound ID F7TSyieupS2
InChI InChI=1S/C9H12O2/c1-9(2)4-7(6-10)3-8(11)5-9/h3,6H,4-5H2,1-2H3
InChIKey PIGJMFZYQUTSNI-UHFFFAOYSA-N
Mol Weight 152.19 g/mol
Molecular Formula C9H12O2
Exact Mass 152.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cfh6g4K1jaU
Name 1-Cyclohexene-1-carboxaldehyde, 5,5-dimethyl-3-oxo-
CAS Registry Number 56621-35-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12O2
InChI InChI=1S/C9H12O2/c1-9(2)4-7(6-10)3-8(11)5-9/h3,6H,4-5H2,1-2H3
InChIKey PIGJMFZYQUTSNI-UHFFFAOYSA-N
Literature Reference DOI 10.1007/s12039-014-0601-4
Molecular Weight 152.193 g/mol
SMILES C1(C)(CC(=CC(C1)=O)C=O)C
SPLASH splash10-014j-9000000000-f50293cc383a74b155b4
Source of Spectrum JCS-126-727/SM6-1
Synonyms 5,5-Dimethyl-3-oxo-1-cyclohexene-1-carbaldehyde 3-Keto-5,5-dimethyl-cyclohexene-1-carbaldehyde 5,5-Dimethyl-3-oxidanylidene-cyclohexene-1-carbaldehyde 5,5-Dimethyl-3-oxo-1-cyclohexenecarboxaldehyde Ketoisophorone 5,5-Dimethyl-3-oxo-cyclohexene-1-carbaldehyde 5,5-Dimethyl-3-oxocyclohex-1-enecarbaldehyde 5,5-Dimethyl-3-oxocyclohexene-1-carbaldehyde
Wiley ID 1743484