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2,4,4-trimethyl-3-carboxaldehyde-5-hydroxy-2,5-cyclohexadien-1-one
SpectraBase Compound ID MySEg0aJNM
InChI InChI=1S/C10H12O3/c1-6-7(5-11)10(2,3)9(13)4-8(6)12/h4-5,13H,1-3H3
InChIKey YZSYPUKZYXIWGT-UHFFFAOYSA-N
Mol Weight 180.2 g/mol
Molecular Formula C10H12O3
Exact Mass 180.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IozDVFHSatZ
Name 2,4,4-trimethyl-3-carboxaldehyde-5-hydroxy-2,5-cyclohexadien-1-one
Alternate Name(s) 2,4,4-Trimethyl-3-carboxaldehyde-5-hydroxy-1-cyclohexanone-2,5-diene 5-Hydroxy-2,6,6-trimethyl-3-oxo-1,4-cyclohexadiene-1-carbaldehyde
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12O3
InChI InChI=1S/C10H12O3/c1-6-7(5-11)10(2,3)9(13)4-8(6)12/h4-5,13H,1-3H3
InChIKey YZSYPUKZYXIWGT-UHFFFAOYSA-N
Molecular Weight 180.203 g/mol
SMILES OC=1C(C(=C(C(C1)=O)C)C=O)(C)C
SPLASH splash10-0kpu-6900000000-d3060afe60f216c8b5b2
Source of Spectrum UT-1990-1330-0
Wiley ID 1176202