| SpectraBase Spectrum ID |
BmsZsyoZ3d |
| Name |
3-Benzyl-2-{[1-(4-fluorophenyl)-1H-1,2,3-triazol-4-yl]methyl}-4-n-propylisoquinolin-1(2H)-one |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H25FN4O |
| InChI |
InChI=1S/C28H25FN4O/c1-2-8-25-24-11-6-7-12-26(24)28(34)32(27(25)17-20-9-4-3-5-10-20)18-22-19-33(31-30-22)23-15-13-21(29)14-16-23/h3-7,9-16,19H,2,8,17-18H2,1H3 |
| InChIKey |
HPOAZVWOYWPMAZ-UHFFFAOYSA-N |
| Instrument Name |
Jeol AccuTOF |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201904110 |
| Molecular Weight |
452.533 g/mol |
| Reported Formula |
C28H25FN4O |
| SMILES |
c1cc2c(cc1)C(=C(N(C2=O)Cc1c[n](nn1)-c1ccc(cc1)F)Cc1ccccc1)CCC |
| SPLASH |
splash10-0002-5490500000-0f67a006d62afc00073f |
| Source of Spectrum |
ACI-58-SM9-3ea |
| Wiley ID |
1875461 |
![3-Benzyl-2-{[1-(4-fluorophenyl)-1H-1,2,3-triazol-4-yl]methyl}-4-n-propylisoquinolin-1(2H)-one](/api/spectrum/BmsZsyoZ3d/structure.png?h=300&w=458 "3-Benzyl-2-{[1-(4-fluorophenyl)-1H-1,2,3-triazol-4-yl]methyl}-4-n-propylisoquinolin-1(2H)-one")
