| SpectraBase Spectrum ID |
9O4kYZzYfN9 |
| Name |
3-(2-Cyclohexylethyl)-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 |
420.288911794 u |
| Formula |
C26H36N4O |
| InChI |
InChI=1S/C26H36N4O/c1-2-3-4-10-17-29-19-23(27-28-29)20-30-24(16-15-21-11-6-5-7-12-21)18-22-13-8-9-14-25(22)26(30)31/h8-9,13-14,18-19,21H,2-7,10-12,15-17,20H2,1H3 |
| InChIKey |
IDGJUHHMHGUTAZ-UHFFFAOYSA-N |
| Instrument Name |
Jeol AccuTOF |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201801324 |
| Molecular Weight |
420.601 g/mol |
| Quality |
39 |
| Reported Formula |
C26H36N4O |
| SMILES |
C=1C=CC=2C=C(CCC3CCCCC3)N(CC=3N=NN(CCCCCC)C3)C(=O)C2C1 |
| SPLASH |
splash10-00dr-0619400000-e9680ae167db508b6408 |
| Source of Spectrum |
ACI-57-SM21-3ah (DOI: 10.1002/anie.201801324) |
| Wiley ID |
1891067 |
![3-(2-Cyclohexylethyl)-2-[(1-n-hexyl-1H-1,2,3-triazol-4-yl)methyl]isoquinolin-1(2H)-one](/api/spectrum/9O4kYZzYfN9/structure.png?h=300&w=458 "3-(2-Cyclohexylethyl)-2-[(1-n-hexyl-1H-1,2,3-triazol-4-yl)methyl]isoquinolin-1(2H)-one")
