| SpectraBase Spectrum ID |
8SBFJL9QjU5 |
| Name |
Acetic acid, ester with 2'-hydroxy-3'-nitrodiacetanilide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
280.069536108 u |
| Formula |
C12H12N2O6 |
| InChI |
InChI=1S/C12H12N2O6/c1-7(15)13(8(2)16)10-5-4-6-11(14(18)19)12(10)20-9(3)17/h4-6H,1-3H3 |
| InChIKey |
DIWBJEIBIVSLDL-UHFFFAOYSA-N |
| Molecular Weight |
280.236 g/mol |
| SMILES |
N(=O)(=O)C1=CC=CC(=C1OC(C)=O)N(C(C)=O)C(C)=O |
| Spectrum/Structure Validation Score (Raman) |
0.853816 |
