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Dimethyl-trans,trans-.alpha.,.alpha.-dimethylmuconate

View entire compound with spectra: 1 NMR, and 1 FTIR

Dimethyl-trans,trans-.alpha.,.alpha.-dimethylmuconate
SpectraBase Compound ID 1aUu0O9HI3x
InChI InChI=1S/C10H14O4/c1-7(9(11)13-3)5-6-8(2)10(12)14-4/h5-6H,1-4H3/b7-5+,8-6+
InChIKey DZQYXTIAUQLOHM-KQQUZDAGSA-N
Mol Weight 198.22 g/mol
Molecular Formula C10H14O4
Exact Mass 198.089209 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IUPMNBb7ciL
Name Dimethyl-trans,trans-.alpha.,.alpha.-dimethylmuconate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 198.089208927 u
Formula C10H14O4
InChI InChI=1S/C10H14O4/c1-7(9(11)13-3)5-6-8(2)10(12)14-4/h5-6H,1-4H3/b7-5+,8-6+
InChIKey DZQYXTIAUQLOHM-KQQUZDAGSA-N
Molecular Weight 198.218 g/mol
SMILES COC(\C(=C\C=C\(C(OC)=O)C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.969991