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5-(Hydroxy)-5-(4-dimethylaminophenyl)pent-2-en-1-al

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

5-(Hydroxy)-5-(4-dimethylaminophenyl)pent-2-en-1-al
SpectraBase Compound ID CMKp8BbjHCy
InChI InChI=1S/C13H17NO2/c1-14(2)12-8-6-11(7-9-12)13(16)5-3-4-10-15/h3-4,6-10,13,16H,5H2,1-2H3/b4-3+
InChIKey YYDHZVADLJRUQU-ONEGZZNKSA-N
Mol Weight 219.28 g/mol
Molecular Formula C13H17NO2
Exact Mass 219.125929 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 376sCZwwzZt
Name 5-(Hydroxy)-5-(4-dimethylaminophenyl)pent-2-en-1-al
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 219.125928789 u
Formula C13H17NO2
InChI InChI=1S/C13H17NO2/c1-14(2)12-8-6-11(7-9-12)13(16)5-3-4-10-15/h3-4,6-10,13,16H,5H2,1-2H3/b4-3+
InChIKey YYDHZVADLJRUQU-ONEGZZNKSA-N
Molecular Weight 219.284 g/mol
SMILES C1(N(C)C)=CC=C(C=C1)C(O)C\C=C\C=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.945634