| SpectraBase Compound ID | 9k8y72YA9ZW |
|---|---|
| InChI | InChI=1S/C6H6N2O4/c1-7-4(10)3(9)5(11)8(2)6(7)12/h1-2H3 |
| InChIKey | KUCNNTLJQCDKEI-UHFFFAOYSA-N |
| Mol Weight | 170.12 g/mol |
| Molecular Formula | C6H6N2O4 |
| Exact Mass | 170.032757 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9XdavFxGp93 |
|---|---|
| Name | nn-Dimethylalloxan |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.032756677 u |
| Formula | C6H6N2O4 |
| InChI | InChI=1S/C6H6N2O4/c1-7-4(10)3(9)5(11)8(2)6(7)12/h1-2H3 |
| InChIKey | KUCNNTLJQCDKEI-UHFFFAOYSA-N |
| SMILES | C1(C(C(N(C)C(N1C)=O)=O)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.887072 |