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(E)-1-(4-Methoxyphenyl)pent-2-ene-1,4-dione

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

(E)-1-(4-Methoxyphenyl)pent-2-ene-1,4-dione
SpectraBase Compound ID KSpfW4inlo1
InChI InChI=1S/C12H12O3/c1-9(13)3-8-12(14)10-4-6-11(15-2)7-5-10/h3-8H,1-2H3/b8-3+
InChIKey GIQXKXZJIBTVEQ-FPYGCLRLSA-N
Mol Weight 204.22 g/mol
Molecular Formula C12H12O3
Exact Mass 204.078644 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EPh7WXxpgVR
Name (E)-1-(4-Methoxyphenyl)pent-2-ene-1,4-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 204.078644243 u
Formula C12H12O3
InChI InChI=1S/C12H12O3/c1-9(13)3-8-12(14)10-4-6-11(15-2)7-5-10/h3-8H,1-2H3/b8-3+
InChIKey GIQXKXZJIBTVEQ-FPYGCLRLSA-N
Molecular Weight 204.225 g/mol
SMILES C(\C=C\C(=O)C)(C=1C=CC(=CC1)OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.922194