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Coniferyl aldehyde, isopropyl ether

View entire compound with spectra: 1 NMR, and 1 FTIR

Coniferyl aldehyde, isopropyl ether
SpectraBase Compound ID DpPPkW7Q7JE
InChI InChI=1S/C13H16O3/c1-10(2)16-12-7-6-11(5-4-8-14)9-13(12)15-3/h4-10H,1-3H3/b5-4+
InChIKey YRASWKFONSRBLC-SNAWJCMRSA-N
Mol Weight 220.27 g/mol
Molecular Formula C13H16O3
Exact Mass 220.109944 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6g7IunslJll
Name Coniferyl aldehyde, isopropyl ether
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 220.109944372 u
Formula C13H16O3
InChI InChI=1S/C13H16O3/c1-10(2)16-12-7-6-11(5-4-8-14)9-13(12)15-3/h4-10H,1-3H3/b5-4+
InChIKey YRASWKFONSRBLC-SNAWJCMRSA-N
Molecular Weight 220.268 g/mol
SMILES C1(=CC(=C(C=C1)OC(C)C)OC)\C=C\C=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.969633