![5-[(3'-Oxo-2'-acetylbut-1'-enyl)amino]-1H-(1,2,3)-benzotriazole](/api/spectrum/I5yHub3DFlK/structure.png?h=300&w=458 "5-[(3'-Oxo-2'-acetylbut-1'-enyl)amino]-1H-(1,2,3)-benzotriazole")
| SpectraBase Compound ID | HabKpGYi3Nl |
|---|---|
| InChI | InChI=1S/C12H12N4O2/c1-7(17)10(8(2)18)6-13-9-3-4-11-12(5-9)15-16-14-11/h3-6,13H,1-2H3,(H,14,15,16) |
| InChIKey | SSYUURVAGKVNNH-UHFFFAOYSA-N |
| Mol Weight | 244.25 g/mol |
| Molecular Formula | C12H12N4O2 |
| Exact Mass | 244.096026 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I5yHub3DFlK |
|---|---|
| Name | 5-[(3'-oxo-2'-Acetylbut-1'-enyl)amino]-1H-(1,2,3)-benzotriazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.096025640 u |
| Formula | C12H12N4O2 |
| InChI | InChI=1S/C12H12N4O2/c1-7(17)10(8(2)18)6-13-9-3-4-11-12(5-9)15-16-14-11/h3-6,13H,1-2H3,(H,14,15,16) |
| InChIKey | SSYUURVAGKVNNH-UHFFFAOYSA-N |
| Molecular Weight | 244.254 g/mol |
| SMILES | C(=CNC=1C=C2N=NNC2=CC1)(C(=O)C)C(=O)C |