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(E)-5-(1,3-benzodioxol-5-yl)-2-pentenal

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

(E)-5-(1,3-benzodioxol-5-yl)-2-pentenal
SpectraBase Compound ID 7o72kJrxAI5
InChI InChI=1S/C12H12O3/c13-7-3-1-2-4-10-5-6-11-12(8-10)15-9-14-11/h1,3,5-8H,2,4,9H2/b3-1+
InChIKey OFIGOXBQAZUUHO-HNQUOIGGSA-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 3sxQewezckE
Name (E)-5-(1,3-Benzodioxol-5-yl)-2-pentenal
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/c13-7-3-1-2-4-10-5-6-11-12(8-10)15-9-14-11/h1,3,5-8H,2,4,9H2/b3-1+
InChIKey OFIGOXBQAZUUHO-HNQUOIGGSA-N
Molecular Weight 204.225 g/mol
SMILES C=1C2=C(C=C(C1)CC\C=C\C=O)OCO2
Spectrum/Structure Validation Score (Vapor Phase IR) 0.949336