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4-Hydroxy-2,6,6-trimethyl-3-oxocyclohexa-1,4-diene-1-carboxaldehyde

View entire compound with spectra: 1 FTIR, and 3 MS (GC)

4-Hydroxy-2,6,6-trimethyl-3-oxocyclohexa-1,4-diene-1-carboxaldehyde
SpectraBase Compound ID 9Q5S7JStEld
InChI InChI=1S/C10H12O3/c1-6-7(5-11)10(2,3)4-8(12)9(6)13/h4-5,12H,1-3H3
InChIKey COUDKMJLVVETJL-UHFFFAOYSA-N
Mol Weight 180.2 g/mol
Molecular Formula C10H12O3
Exact Mass 180.078644 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GLr8jIwmOyx
Name 4-Hydroxy-2,6,6-trimethyl-3-oxocyclohexa-1,4-dienecarbaldehyde
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 180.078644243 u
Formula C10H12O3
InChI InChI=1S/C10H12O3/c1-6-7(5-11)10(2,3)4-8(12)9(6)13/h4-5,12H,1-3H3
InChIKey COUDKMJLVVETJL-UHFFFAOYSA-N
Molecular Weight 180.203 g/mol
SMILES C1(=C(C(C(=CC1(C)C)O)=O)C)C=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.964247