| SpectraBase Compound ID | 3bHgt256DXp |
|---|---|
| InChI | InChI=1S/C13H9N5O2/c14-9-10-1-3-11(4-2-10)15-17-16-12-5-7-13(8-6-12)18(19)20/h1-8H,(H,15,16) |
| InChIKey | HWLAVRZPCKVQJY-UHFFFAOYSA-N |
| Mol Weight | 267.25 g/mol |
| Molecular Formula | C13H9N5O2 |
| Exact Mass | 267.075625 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kh7SosPaXdT |
|---|---|
| Name | 4-Cyano-4'-nitrotriazobenzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 267.075624548 u |
| Formula | C13H9N5O2 |
| InChI | InChI=1S/C13H9N5O2/c14-9-10-1-3-11(4-2-10)15-17-16-12-5-7-13(8-6-12)18(19)20/h1-8H,(H,15,16) |
| InChIKey | HWLAVRZPCKVQJY-UHFFFAOYSA-N |
| SMILES | C1(=CC=C(C=C1)C#N)N\N=N\C=1C=CC(=CC1)N(=O)=O |