| SpectraBase Spectrum ID |
DVzfmpVmGNe |
| Name |
3-Benzyl-2-[(1-n-hexyl-1H-1,2,3-triazol-4-yl)methyl]-6-(methylthio)-4-n-propylisoquinolin-1(2H)-one |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H36N4OS |
| InChI |
InChI=1S/C29H36N4OS/c1-4-6-7-11-17-32-20-23(30-31-32)21-33-28(18-22-13-9-8-10-14-22)25(12-5-2)27-19-24(35-3)15-16-26(27)29(33)34/h8-10,13-16,19-20H,4-7,11-12,17-18,21H2,1-3H3 |
| InChIKey |
TVKBGTUDCUUSTP-UHFFFAOYSA-N |
| Instrument Name |
Jeol AccuTOF |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201904110 |
| Molecular Weight |
488.694 g/mol |
| Reported Formula |
C29H36N4OS |
| SMILES |
c1cc2c(cc1SC)C(=C(N(C2=O)Cc1c[n](nn1)CCCCCC)Cc1ccccc1)CCC |
| SPLASH |
splash10-01vx-0479600000-9daf19b8bbe3eb267a70 |
| Source of Spectrum |
ACI-58-SM15-3na |
| Wiley ID |
1875465 |
![3-Benzyl-2-[(1-n-hexyl-1H-1,2,3-triazol-4-yl)methyl]-6-(methylthio)-4-n-propylisoquinolin-1(2H)-one](/api/spectrum/DVzfmpVmGNe/structure.png?h=300&w=458 "3-Benzyl-2-[(1-n-hexyl-1H-1,2,3-triazol-4-yl)methyl]-6-(methylthio)-4-n-propylisoquinolin-1(2H)-one")
