| SpectraBase Spectrum ID |
JXWYVKKL2Rx |
| Name |
Acetic acid, ester with 5'-hydroxy-2'-methoxy-4'-nitroacetanilide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
268.069536108 u |
| Formula |
C11H12N2O6 |
| InChI |
InChI=1S/C11H12N2O6/c1-6(14)12-8-4-11(19-7(2)15)9(13(16)17)5-10(8)18-3/h4-5H,1-3H3,(H,12,14) |
| InChIKey |
NLFLZHGXWWBLQH-UHFFFAOYSA-N |
| Molecular Weight |
268.225 g/mol |
| SMILES |
N(C=1C(=CC(=C(C1)OC(C)=O)N(=O)=O)OC)C(C)=O |
| Spectrum/Structure Validation Score (Raman) |
0.948047 |
