![4-[2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]phenyl acetate](/api/spectrum/HUrhECEa8JB/structure.png?h=300&w=458 "4-[2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]phenyl acetate")
| SpectraBase Compound ID | Hsrgualceig |
|---|---|
| InChI | InChI=1S/C18H13N3O2/c1-12(22)23-15-8-6-13(7-9-15)10-14(11-19)18-20-16-4-2-3-5-17(16)21-18/h2-10H,1H3,(H,20,21)/b14-10+ |
| InChIKey | XMGIOOYJWUWFIY-GXDHUFHOSA-N |
| Mol Weight | 303.32 g/mol |
| Molecular Formula | C18H13N3O2 |
| Exact Mass | 303.100777 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HUrhECEa8JB |
|---|---|
| Name | 4-[2-(1H-Benzimidazol-2-yl)-2-cyanoethenyl]phenyl acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 303.100776669 u |
| Formula | C18H13N3O2 |
| InChI | InChI=1S/C18H13N3O2/c1-12(22)23-15-8-6-13(7-9-15)10-14(11-19)18-20-16-4-2-3-5-17(16)21-18/h2-10H,1H3,(H,20,21)/b14-10+ |
| InChIKey | XMGIOOYJWUWFIY-GXDHUFHOSA-N |
| SMILES | C1(=NC=2C=CC=CC2N1)\C(=C\C1=CC=C(OC(=O)C)C=C1)C#N |