| SpectraBase Compound ID | BB5F2Q9g15d |
|---|---|
| InChI | InChI=1S/C10H10N2O3/c1-6-9-7(11(2)10(6)13)4-3-5-8(9)12(14)15/h3-6H,1-2H3 |
| InChIKey | PXYKYKXPHWYYGA-UHFFFAOYSA-N |
| Mol Weight | 206.2 g/mol |
| Molecular Formula | C10H10N2O3 |
| Exact Mass | 206.069142 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7KtYGJIWgOJ |
|---|---|
| Name | 1,3-Dimethyl-4-nitro-3H-indol-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.069142187 u |
| Formula | C10H10N2O3 |
| InChI | InChI=1S/C10H10N2O3/c1-6-9-7(11(2)10(6)13)4-3-5-8(9)12(14)15/h3-6H,1-2H3 |
| InChIKey | PXYKYKXPHWYYGA-UHFFFAOYSA-N |
| Molecular Weight | 206.201 g/mol |
| SMILES | C12=C(N(C)C(C2C)=O)C=CC=C1N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.889192 |