| SpectraBase Spectrum ID |
B4DFDWMJUjQ |
| Name |
3-Benzyl-7-chloro-2-[(1-n-hexyl-1H-1,2,3-triazol-4-yl)methyl]-4-n-propylisoquinolin-1(2H)-one |
| Appearance |
Off-white solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H33ClN4O |
| InChI |
InChI=1S/C28H33ClN4O/c1-3-5-6-10-16-32-19-23(30-31-32)20-33-27(17-21-12-8-7-9-13-21)25(11-4-2)24-15-14-22(29)18-26(24)28(33)34/h7-9,12-15,18-19H,3-6,10-11,16-17,20H2,1-2H3 |
| InChIKey |
DJTYZCVCEOVMRY-UHFFFAOYSA-N |
| Instrument Name |
Jeol AccuTOF |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201904110 |
| Molecular Weight |
477.052 g/mol |
| Reported Formula |
C28H33(35)ClN4O |
| SMILES |
c1(cc2c(cc1)C(=C(N(C2=O)Cc1c[n](nn1)CCCCCC)Cc1ccccc1)CCC)Cl |
| SPLASH |
splash10-03xr-5594300000-069ee331d2e2d83b191b |
| Source of Spectrum |
ACI-58-SM19-3ta |
| Wiley ID |
1875472 |
![3-Benzyl-7-chloro-2-[(1-n-hexyl-1H-1,2,3-triazol-4-yl)methyl]-4-n-propylisoquinolin-1(2H)-one](/api/spectrum/B4DFDWMJUjQ/structure.png?h=300&w=458 "3-Benzyl-7-chloro-2-[(1-n-hexyl-1H-1,2,3-triazol-4-yl)methyl]-4-n-propylisoquinolin-1(2H)-one")
