| SpectraBase Spectrum ID |
7hYeQnCGO0A |
| Name |
(E)-3-(2-Phenyl-4-quinolinyl)-2-propenoic acid tert-butyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
331.157228918 u |
| Formula |
C22H21NO2 |
| InChI |
InChI=1S/C22H21NO2/c1-22(2,3)25-21(24)14-13-17-15-20(16-9-5-4-6-10-16)23-19-12-8-7-11-18(17)19/h4-15H,1-3H3/b14-13+ |
| InChIKey |
ZKHKMECPLUBTIA-BUHFOSPRSA-N |
| Molecular Weight |
331.415 g/mol |
| SMILES |
C(\C=C\C1=CC(=NC=2C1=CC=CC2)C=1C=CC=CC1)(=O)OC(C)(C)C |
