| SpectraBase Compound ID | EPhb29CLxZv |
|---|---|
| InChI | InChI=1S/C8H9NO2/c1-4-3-6(10)7(9)5(2)8(4)11/h3H,9H2,1-2H3 |
| InChIKey | SJRAWAWCOMJQQY-UHFFFAOYSA-N |
| Mol Weight | 151.16 g/mol |
| Molecular Formula | C8H9NO2 |
| Exact Mass | 151.063329 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 425fsi4Gml4 |
|---|---|
| Name | 2,6-Dimethyl-3-aminobenzoquinone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 151.063328532 u |
| Formula | C8H9NO2 |
| InChI | InChI=1S/C8H9NO2/c1-4-3-6(10)7(9)5(2)8(4)11/h3H,9H2,1-2H3 |
| InChIKey | SJRAWAWCOMJQQY-UHFFFAOYSA-N |
| SMILES | CC1=CC(=O)C(=C(C1=O)C)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.940325 |