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 |