| SpectraBase Spectrum ID |
8piQzwHWqhy |
| Name |
3-Benzyl-2-[(1-n-hexyl-1H-1,2,3-triazol-4-yl)methyl]-8-methyl-4-n-propylisoquinolin-1(2H)-one |
| Appearance |
Pale yellow solid |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H36N4O |
| InChI |
InChI=1S/C29H36N4O/c1-4-6-7-11-18-32-20-24(30-31-32)21-33-27(19-23-15-9-8-10-16-23)25(13-5-2)26-17-12-14-22(3)28(26)29(33)34/h8-10,12,14-17,20H,4-7,11,13,18-19,21H2,1-3H3 |
| InChIKey |
HQDIVHRWUUCUFM-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 |
c1c(c2c(cc1)C(=C(N(C2=O)Cc1c[n](nn1)CCCCCC)Cc1ccccc1)CCC)C |
| SPLASH |
splash10-06r6-0190300000-f0705afbea17995003f3 |
| Source of Spectrum |
ACI-58-SM17-3qa |
| Wiley ID |
1875468 |
![3-Benzyl-2-[(1-n-hexyl-1H-1,2,3-triazol-4-yl)methyl]-8-methyl-4-n-propylisoquinolin-1(2H)-one](/api/spectrum/8piQzwHWqhy/structure.png?h=300&w=458 "3-Benzyl-2-[(1-n-hexyl-1H-1,2,3-triazol-4-yl)methyl]-8-methyl-4-n-propylisoquinolin-1(2H)-one")
