SpectraBase Compound ID | Guj0oZcuNNo |
---|---|
InChI | InChI=1S/C10H9NO2/c1-5-3-4-7-8(6(5)2)9(12)10(13)11-7/h3-4H,1-2H3,(H,11,12,13) |
InChIKey | UZQSNRWCIFIUSJ-UHFFFAOYSA-N |
Mol Weight | 175.19 g/mol |
Molecular Formula | C10H9NO2 |
Exact Mass | 175.063329 g/mol |
SpectraBase Spectrum ID | EtVc8umFrV3 |
---|---|
Name | 4,5-Dimethylindoline-2,3-dione |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 175.063328532 u |
Formula | C10H9NO2 |
InChI | InChI=1S/C10H9NO2/c1-5-3-4-7-8(6(5)2)9(12)10(13)11-7/h3-4H,1-2H3,(H,11,12,13) |
InChIKey | UZQSNRWCIFIUSJ-UHFFFAOYSA-N |
Molecular Weight | 175.187 g/mol |
SMILES | C1(NC2=C(C1=O)C(=C(C=C2)C)C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.845042 |