| SpectraBase Spectrum ID |
4BdLZLCz3Sv |
| Name |
6-Chloro-3-n-heptyl-2-[(1-n-hexyl-1H-1,2,3-triazol-4-yl)methyl]isoquinolin-1(2H)-one |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
442.249939462 u |
| Formula |
C25H35ClN4O |
| InChI |
InChI=1S/C25H35ClN4O/c1-3-5-7-9-10-12-23-17-20-16-21(26)13-14-24(20)25(31)30(23)19-22-18-29(28-27-22)15-11-8-6-4-2/h13-14,16-18H,3-12,15,19H2,1-2H3 |
| InChIKey |
DWPDIPBEOYYKTF-UHFFFAOYSA-N |
| Instrument Name |
Jeol AccuTOF |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201801324 |
| Molecular Weight |
443.035 g/mol |
| Quality |
156 |
| Reported Formula |
C25H35(35)ClN4O |
| SMILES |
C=1C(=CC=2C=C(CCCCCCC)N(CC=3N=NN(CCCCCC)C3)C(=O)C2C1)Cl |
| SPLASH |
splash10-0006-6709800000-b4e13003bb057b505919 |
| Source of Spectrum |
ACI-57-SM13-3ja (DOI: 10.1002/anie.201801324) |
| Wiley ID |
1891080 |
![6-Chloro-3-n-heptyl-2-[(1-n-hexyl-1H-1,2,3-triazol-4-yl)methyl]isoquinolin-1(2H)-one](/api/spectrum/4BdLZLCz3Sv/structure.png?h=300&w=458 "6-Chloro-3-n-heptyl-2-[(1-n-hexyl-1H-1,2,3-triazol-4-yl)methyl]isoquinolin-1(2H)-one")
