| SpectraBase Spectrum ID |
EdiVDuQ2CEh |
| Name |
Phthalic acid, ethyl 3-methoxy-4-nitrobenzyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
359.100501884 u |
| Formula |
C18H17NO7 |
| InChI |
InChI=1S/C18H17NO7/c1-3-25-17(20)13-6-4-5-7-14(13)18(21)26-11-12-8-9-15(19(22)23)16(10-12)24-2/h4-10H,3,11H2,1-2H3 |
| InChIKey |
VWHBAXLHQKWNFW-UHFFFAOYSA-N |
| Molecular Weight |
359.334 g/mol |
| SMILES |
C(C1=CC=CC=C1C(=O)OCC1=CC(=C(C=C1)N(=O)=O)OC)(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.972979 |
