SpectraBase Spectrum ID |
EUInvZzTYGo |
Name |
4-Methoxy-3-(piperidin-1-ylmethyl)benzaldehyde |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
233.141578854 u |
Formula |
C14H19NO2 |
InChI |
InChI=1S/C14H19NO2/c1-17-14-6-5-12(11-16)9-13(14)10-15-7-3-2-4-8-15/h5-6,9,11H,2-4,7-8,10H2,1H3 |
InChIKey |
XGYIPSUCUPAHRT-UHFFFAOYSA-N |
Molecular Weight |
233.311 g/mol |
SMILES |
C1=C(C=C(C(=C1)OC)CN1CCCCC1)C=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.95746 |