| SpectraBase Compound ID | 3EbUN60Fx7X |
|---|---|
| InChI | InChI=1S/C10H9N3O2/c11-4-1-2-5-6(3-4)10(15)8(13)7(12)9(5)14/h1-3H,11-13H2 |
| InChIKey | MZVLPZSCMMFVDO-UHFFFAOYSA-N |
| Mol Weight | 203.2 g/mol |
| Molecular Formula | C10H9N3O2 |
| Exact Mass | 203.069477 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DPqTamUZOLJ |
|---|---|
| Name | 2,3,6-Triamino-1,4-naphthinone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 203.069476540 u |
| Formula | C10H9N3O2 |
| InChI | InChI=1S/C10H9N3O2/c11-4-1-2-5-6(3-4)10(15)8(13)7(12)9(5)14/h1-3H,11-13H2 |
| InChIKey | MZVLPZSCMMFVDO-UHFFFAOYSA-N |
| Molecular Weight | 203.201 g/mol |
| SMILES | C1(=C(C(=O)C=2C(C1=O)=CC(=CC2)N)N)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.956108 |