![4H-1,2,4-triazol-4-amine, N-[(E,2E)-3-phenyl-2-propenylidene]-](/api/spectrum/KbufCVpM7ch/structure.png?h=300&w=458 "4H-1,2,4-triazol-4-amine, N-[(E,2E)-3-phenyl-2-propenylidene]-")
| SpectraBase Compound ID | K3fMGCBOGFv |
|---|---|
| InChI | InChI=1S/C11H10N4/c1-2-5-11(6-3-1)7-4-8-14-15-9-12-13-10-15/h1-10H/b7-4+,14-8+ |
| InChIKey | HIQAKCUTUJDMGW-CUJDEGIUSA-N |
| Mol Weight | 198.23 g/mol |
| Molecular Formula | C11H10N4 |
| Exact Mass | 198.090546 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KbufCVpM7ch |
|---|---|
| Name | 4H-1,2,4-Triazol-4-amine, N-[(E,2E)-3-phenyl-2-propenylidene]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.090546338 u |
| Formula | C11H10N4 |
| InChI | InChI=1S/C11H10N4/c1-2-5-11(6-3-1)7-4-8-14-15-9-12-13-10-15/h1-10H/b7-4+,14-8+ |
| InChIKey | HIQAKCUTUJDMGW-CUJDEGIUSA-N |
| Molecular Weight | 198.229 g/mol |
| SMILES | C1=CC=C(\C=C\C=N\N2C=NN=C2)C=C1 |