| SpectraBase Spectrum ID |
7xXCEBeR5VX |
| Name |
Phthalic acid, 2-(2-nitrophenyl)ethyl propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
357.121237330 u |
| Formula |
C19H19NO6 |
| InChI |
InChI=1S/C19H19NO6/c1-2-12-25-18(21)15-8-4-5-9-16(15)19(22)26-13-11-14-7-3-6-10-17(14)20(23)24/h3-10H,2,11-13H2,1H3 |
| InChIKey |
WANANQVIRAUUTN-UHFFFAOYSA-N |
| Molecular Weight |
357.362 g/mol |
| SMILES |
C(C1=CC=CC=C1C(OCCC1=CC=CC=C1N(=O)=O)=O)(OCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.891841 |
