| SpectraBase Spectrum ID |
CTcOixGq8Bm |
| Name |
Phthalic acid, 3-methyl-2-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/c1-3-11-25-18(21)15-9-4-5-10-16(15)19(22)26-12-14-8-6-7-13(2)17(14)20(23)24/h4-10H,3,11-12H2,1-2H3 |
| InChIKey |
MEQRLVVACVXNFW-UHFFFAOYSA-N |
| Molecular Weight |
357.362 g/mol |
| SMILES |
C1=CC(=C(C=C1)C(=O)OCC=1C=CC=C(C)C1N(=O)=O)C(=O)OCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.933266 |
