| SpectraBase Spectrum ID |
5bzHS6NxUNP |
| Name |
Phthalic acid, ethyl 4-methyl-3-nitrobenzyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
343.105587265 u |
| Formula |
C18H17NO6 |
| InChI |
InChI=1S/C18H17NO6/c1-3-24-17(20)14-6-4-5-7-15(14)18(21)25-11-13-9-8-12(2)16(10-13)19(22)23/h4-10H,3,11H2,1-2H3 |
| InChIKey |
XONLNXMEFVVWPM-UHFFFAOYSA-N |
| Molecular Weight |
343.335 g/mol |
| SMILES |
C1=CC(=C(C=C1)C(=O)OCC=1C=CC(C)=C(C1)N(=O)=O)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.923574 |
