| SpectraBase Spectrum ID |
JxUZeoquPs1 |
| Name |
bdb Piperonal adduct |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
325.131408092 u |
| Formula |
C19H19NO4 |
| InChI |
InChI=1S/C19H19NO4/c1-2-15(7-13-3-5-16-18(8-13)23-11-21-16)20-10-14-4-6-17-19(9-14)24-12-22-17/h3-6,8-10,15H,2,7,11-12H2,1H3/b20-10+ |
| InChIKey |
SHCAAKFZQXVJKX-KEBDBYFISA-N |
| Molecular Weight |
325.364 g/mol |
| SMILES |
C1=2C(=CC(CC(\N=C\C=3C=C4C(=CC3)OCO4)CC)=CC2)OCO1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959558 |
