| SpectraBase Spectrum ID |
3ERkaH7EpuY |
| Name |
Ethyl-3-((E)-3-(4-fluorophenyl)-3-hydroxyprop-1-enyl)-4-((E)-pyrrolidin-1-yldiazenyl)benzoate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
397.180169805 u |
| Formula |
C22H24FN3O3 |
| InChI |
InChI=1S/C22H24FN3O3/c1-2-29-22(28)18-7-11-20(24-25-26-13-3-4-14-26)17(15-18)8-12-21(27)16-5-9-19(23)10-6-16/h5-12,15,21,27H,2-4,13-14H2,1H3/b12-8+,25-24+ |
| InChIKey |
DTEFWTRZHOCRJZ-AISJSYPQSA-N |
| Molecular Weight |
397.450 g/mol |
| SMILES |
C=1C(=C(\C=C\C(C2=CC=C(C=C2)F)O)C=C(C(=O)OCC)C1)\N=N\N1CCCC1 |
