| SpectraBase Spectrum ID |
FtSZZezMYxT |
| Name |
3-n-Heptyl-2-[(1-n-hexyl-1H-1,2,3-triazol-4-yl)methyl]isoquinolin-1(2H)-one |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
408.288911794 u |
| Formula |
C25H36N4O |
| InChI |
InChI=1S/C25H36N4O/c1-3-5-7-9-10-15-23-18-21-14-11-12-16-24(21)25(30)29(23)20-22-19-28(27-26-22)17-13-8-6-4-2/h11-12,14,16,18-19H,3-10,13,15,17,20H2,1-2H3 |
| InChIKey |
DMUWWIZMBGWLQR-UHFFFAOYSA-N |
| Instrument Name |
Jeol AccuTOF |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201801324 |
| Molecular Weight |
408.590 g/mol |
| Quality |
144 |
| Reported Formula |
C25H36N4O |
| SMILES |
C1=CC2=C(C=C1)C=C(N(C2=O)CC1=CN(N=N1)CCCCCC)CCCCCCC |
| SPLASH |
splash10-0a4l-6976600000-cb50c140dea3a7418051 |
| Source of Spectrum |
ACI-57-SM6-3aa (DOI: 10.1002/anie.201801324) |
| Wiley ID |
1891064 |
![3-n-Heptyl-2-[(1-n-hexyl-1H-1,2,3-triazol-4-yl)methyl]isoquinolin-1(2H)-one](/api/spectrum/FtSZZezMYxT/structure.png?h=300&w=458 "3-n-Heptyl-2-[(1-n-hexyl-1H-1,2,3-triazol-4-yl)methyl]isoquinolin-1(2H)-one")
