For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Coniferyl aldehyde, N-propyl ether
SpectraBase Compound ID AV2qsGhCOTV
InChI InChI=1S/C13H16O3/c1-3-9-16-12-7-6-11(5-4-8-14)10-13(12)15-2/h4-8,10H,3,9H2,1-2H3/b5-4+
InChIKey PUBAZXXDEFHOFP-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

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID IXxrO3Wq6Kk
Name Coniferyl aldehyde, N-propyl 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/c1-3-9-16-12-7-6-11(5-4-8-14)10-13(12)15-2/h4-8,10H,3,9H2,1-2H3/b5-4+
InChIKey PUBAZXXDEFHOFP-SNAWJCMRSA-N
Molecular Weight 220.268 g/mol
SMILES C1(=CC(=C(C=C1)OCCC)OC)\C=C\C=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.986076