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4-Heptenal, 7-(4-methoxyphenyl)-4-methyl-, (E)-

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

4-Heptenal, 7-(4-methoxyphenyl)-4-methyl-, (E)-
SpectraBase Compound ID 6Cg7ybCzVwp
InChI InChI=1S/C15H20O2/c1-13(6-4-12-16)5-3-7-14-8-10-15(17-2)11-9-14/h5,8-12H,3-4,6-7H2,1-2H3/b13-5+
InChIKey XTFIXQOFGASDQF-WLRTZDKTSA-N
Mol Weight 232.32 g/mol
Molecular Formula C15H20O2
Exact Mass 232.14633 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EL56l7zk00f
Name 4-Heptenal, 7-(4-methoxyphenyl)-4-methyl-, (E)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 232.146329882 u
Formula C15H20O2
InChI InChI=1S/C15H20O2/c1-13(6-4-12-16)5-3-7-14-8-10-15(17-2)11-9-14/h5,8-12H,3-4,6-7H2,1-2H3/b13-5+
InChIKey XTFIXQOFGASDQF-WLRTZDKTSA-N
Molecular Weight 232.323 g/mol
SMILES C(\C=C\(CCC=O)C)CC=1C=CC(=CC1)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.964565