| SpectraBase Spectrum ID |
6AsN88k4hsT |
| Name |
(2,4-Dinitrophenyl)acetic acid, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
240.038235980 u |
| Formula |
C9H8N2O6 |
| InChI |
InChI=1S/C9H8N2O6/c1-17-9(12)4-6-2-3-7(10(13)14)5-8(6)11(15)16/h2-3,5H,4H2,1H3 |
| InChIKey |
HTANURMJHZJJSO-UHFFFAOYSA-N |
| Molecular Weight |
240.171 g/mol |
| SMILES |
N(=O)(=O)C=1C(=CC=C(C1)N(=O)=O)CC(OC)=O |
| Spectrum/Structure Validation Score (Raman) |
0.883394 |
