| SpectraBase Spectrum ID |
7CNkX4y7SaC |
| Name |
Phthalic acid, 3,5-dinitro-4-methylbenzyl propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
402.106315540 u |
| Formula |
C19H18N2O8 |
| InChI |
InChI=1S/C19H18N2O8/c1-3-8-28-18(22)14-6-4-5-7-15(14)19(23)29-11-13-9-16(20(24)25)12(2)17(10-13)21(26)27/h4-7,9-10H,3,8,11H2,1-2H3 |
| InChIKey |
ZUNYYKSSZDXARE-UHFFFAOYSA-N |
| Molecular Weight |
402.359 g/mol |
| SMILES |
C1=CC(=C(C=C1)C(OCCC)=O)C(OCC1=CC(=C(C(=C1)N(=O)=O)C)N(=O)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.861493 |
