| SpectraBase Spectrum ID |
F5W1jYToR5X |
| Name |
3,5-Dinitrobenzoic acid, p-tolyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
302.053886044 u |
| Formula |
C14H10N2O6 |
| InChI |
InChI=1S/C14H10N2O6/c1-9-2-4-13(5-3-9)22-14(17)10-6-11(15(18)19)8-12(7-10)16(20)21/h2-8H,1H3 |
| InChIKey |
RZSBJDXJIQWRBM-UHFFFAOYSA-N |
| Molecular Weight |
302.242 g/mol |
| SMILES |
N(=O)(=O)C1=CC(=CC(=C1)C(OC=1C=CC(=CC1)C)=O)N(=O)=O |
| Spectrum/Structure Validation Score (Raman) |
0.875849 |
