| SpectraBase Compound ID | 9IsgTgNMclU |
|---|---|
| InChI | InChI=1S/C14H13N3O3/c1-10(18)15-12-7-8-13(14(9-12)17(19)20)16-11-5-3-2-4-6-11/h2-9,16H,1H3,(H,15,18) |
| InChIKey | KBKLNLMUGULOMV-UHFFFAOYSA-N |
| Mol Weight | 271.28 g/mol |
| Molecular Formula | C14H13N3O3 |
| Exact Mass | 271.095691 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G6PtNkI9iJV |
|---|---|
| Name | 2-Nitro-4-aminodiphenylamine, ac derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 271.095691288 u |
| Formula | C14H13N3O3 |
| InChI | InChI=1S/C14H13N3O3/c1-10(18)15-12-7-8-13(14(9-12)17(19)20)16-11-5-3-2-4-6-11/h2-9,16H,1H3,(H,15,18) |
| InChIKey | KBKLNLMUGULOMV-UHFFFAOYSA-N |
| SMILES | C1(N(=O)=O)=C(C=CC(=C1)NC(C)=O)NC1=CC=CC=C1 |