| SpectraBase Spectrum ID |
Du83ylv5hSN |
| Name |
3-Benzyl-8-fluoro-2-[(1-n-hexyl-1H-1,2,3-triazol-4-yl)methyl]-4-n-propylisoquinolin-1(2H)-one |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H33FN4O |
| InChI |
InChI=1S/C28H33FN4O/c1-3-5-6-10-17-32-19-22(30-31-32)20-33-26(18-21-13-8-7-9-14-21)23(12-4-2)24-15-11-16-25(29)27(24)28(33)34/h7-9,11,13-16,19H,3-6,10,12,17-18,20H2,1-2H3 |
| InChIKey |
AUAAZBLZQLIUJQ-UHFFFAOYSA-N |
| Instrument Name |
Jeol AccuTOF |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201904110 |
| Molecular Weight |
460.597 g/mol |
| Reported Formula |
C28H33FN4O |
| SMILES |
c1c(c2c(cc1)C(=C(N(C2=O)Cc1c[n](nn1)CCCCCC)Cc1ccccc1)CCC)F |
| SPLASH |
splash10-01ox-0191200000-ca63b2e7a55b01a065f5 |
| Source of Spectrum |
ACI-58-SM16-3pa |
| Wiley ID |
1875467 |
![3-Benzyl-8-fluoro-2-[(1-n-hexyl-1H-1,2,3-triazol-4-yl)methyl]-4-n-propylisoquinolin-1(2H)-one](/api/spectrum/Du83ylv5hSN/structure.png?h=300&w=458 "3-Benzyl-8-fluoro-2-[(1-n-hexyl-1H-1,2,3-triazol-4-yl)methyl]-4-n-propylisoquinolin-1(2H)-one")
