| SpectraBase Compound ID | 7joSaFpunX |
|---|---|
| InChI | InChI=1S/C16H13N3O2/c17-12-6-5-11-9-18-15(20)13-4-2-1-3-10(13)8-19(18)16(21)14(11)7-12/h1-7H,8-9,17H2 |
| InChIKey | RKQYUQKVMJRXNK-UHFFFAOYSA-N |
| Mol Weight | 279.3 g/mol |
| Molecular Formula | C16H13N3O2 |
| Exact Mass | 279.100777 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IuBr0rzHcFN |
|---|---|
| Name | 3-Aminodiftalone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 279.100776669 u |
| Formula | C16H13N3O2 |
| InChI | InChI=1S/C16H13N3O2/c17-12-6-5-11-9-18-15(20)13-4-2-1-3-10(13)8-19(18)16(21)14(11)7-12/h1-7H,8-9,17H2 |
| InChIKey | RKQYUQKVMJRXNK-UHFFFAOYSA-N |
| SMILES | C12=C(C=CC=C2)C(N2N(C1)C(C=1C(C2)=CC=C(C1)N)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.876096 |