| SpectraBase Spectrum ID |
lL20YscVX0 |
| Name |
3-Acetyl-1,3-dimethyl-5-nitroindolin-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
248.079706870 u |
| Formula |
C12H12N2O4 |
| InChI |
InChI=1S/C12H12N2O4/c1-7(15)12(2)9-6-8(14(17)18)4-5-10(9)13(3)11(12)16/h4-6H,1-3H3 |
| InChIKey |
DKHDOBQQGOJEIV-UHFFFAOYSA-N |
| Molecular Weight |
248.238 g/mol |
| SMILES |
C1(C(N(C)C=2C1=CC(N(=O)=O)=CC2)=O)(C(=O)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.976972 |
