| SpectraBase Spectrum ID |
9rt0FebZR77 |
| Name |
2-[(1-n-Hexyl-1H-1,2,3-triazol-4-yl)methyl]-3-(4-methylbenzyl)-4-n-propylisoquinolin-1(2H)-one |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H36N4O |
| InChI |
InChI=1S/C29H36N4O/c1-4-6-7-10-18-32-20-24(30-31-32)21-33-28(19-23-16-14-22(3)15-17-23)26(11-5-2)25-12-8-9-13-27(25)29(33)34/h8-9,12-17,20H,4-7,10-11,18-19,21H2,1-3H3 |
| InChIKey |
CQDPRIWWNUGGDP-UHFFFAOYSA-N |
| Instrument Name |
Jeol AccuTOF |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201904110 |
| Molecular Weight |
456.634 g/mol |
| Reported Formula |
C29H36N4O |
| SMILES |
c1cc2c(cc1)C(=C(N(C2=O)Cc1c[n](nn1)CCCCCC)Cc1ccc(cc1)C)CCC |
| SPLASH |
splash10-0btc-2290400000-8a9813c053760f74f342 |
| Source of Spectrum |
ACI-58-SM23-3ab |
| Wiley ID |
1875454 |
![2-[(1-n-Hexyl-1H-1,2,3-triazol-4-yl)methyl]-3-(4-methylbenzyl)-4-n-propylisoquinolin-1(2H)-one](/api/spectrum/9rt0FebZR77/structure.png?h=300&w=458 "2-[(1-n-Hexyl-1H-1,2,3-triazol-4-yl)methyl]-3-(4-methylbenzyl)-4-n-propylisoquinolin-1(2H)-one")
