| SpectraBase Spectrum ID |
K7Uw9HIPmQa |
| Name |
Phthalic acid, 4-methyl-3-nitrobenzyl 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/c1-3-10-25-18(21)15-6-4-5-7-16(15)19(22)26-12-14-9-8-13(2)17(11-14)20(23)24/h4-9,11H,3,10,12H2,1-2H3 |
| InChIKey |
UALOPZGYKWKMFT-UHFFFAOYSA-N |
| Molecular Weight |
357.362 g/mol |
| SMILES |
C1=CC(=C(C=C1)C(=O)OCC=1C=CC(C)=C(C1)N(=O)=O)C(=O)OCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.917087 |
