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(2E)-3-(3-Methoxy-4-methylphenyl)but-2-enal

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

(2E)-3-(3-Methoxy-4-methylphenyl)but-2-enal
SpectraBase Compound ID 9T3Q1rKJs1b
InChI InChI=1S/C12H14O2/c1-9(6-7-13)11-5-4-10(2)12(8-11)14-3/h4-8H,1-3H3/b9-6+
InChIKey QHKCDMIPLJZRMI-RMKNXTFCSA-N
Mol Weight 190.24 g/mol
Molecular Formula C12H14O2
Exact Mass 190.09938 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3k4UD5SjmOu
Name (2E)-3-(3-Methoxy-4-methylphenyl)but-2-enal
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 190.099379689 u
Formula C12H14O2
InChI InChI=1S/C12H14O2/c1-9(6-7-13)11-5-4-10(2)12(8-11)14-3/h4-8H,1-3H3/b9-6+
InChIKey QHKCDMIPLJZRMI-RMKNXTFCSA-N
Molecular Weight 190.242 g/mol
SMILES C=1(C=C(OC)C(=CC1)C)\C(=C\C=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.95177