| SpectraBase Spectrum ID |
HjiB7cvlM0i |
| Name |
Benzaldehyde, 3-ethoxy-4-(3-nitrobenzyloxy)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
301.095022582 u |
| Formula |
C16H15NO5 |
| InChI |
InChI=1S/C16H15NO5/c1-2-21-16-9-12(10-18)6-7-15(16)22-11-13-4-3-5-14(8-13)17(19)20/h3-10H,2,11H2,1H3 |
| InChIKey |
ANROAHNVADLJOO-UHFFFAOYSA-N |
| SMILES |
CCOC1=C(OCC=2C=C(N(=O)=O)C=CC2)C=CC(=C1)C=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951409 |