| SpectraBase Spectrum ID |
2i19c6H00e |
| Name |
3-n-Heptyl-2-[(1-n-hexyl-1H-1,2,3-triazol-4-yl)methyl]-7-methylisoquinolin-1(2H)-one |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
422.304561859 u |
| Formula |
C26H38N4O |
| InChI |
InChI=1S/C26H38N4O/c1-4-6-8-10-11-13-24-18-22-15-14-21(3)17-25(22)26(31)30(24)20-23-19-29(28-27-23)16-12-9-7-5-2/h14-15,17-19H,4-13,16,20H2,1-3H3 |
| InChIKey |
OBDVWTBIVCCVEM-UHFFFAOYSA-N |
| Instrument Name |
Jeol AccuTOF |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201801324 |
| Molecular Weight |
422.617 g/mol |
| Quality |
6 |
| Reported Formula |
C26H38N4O |
| SMILES |
C=1(C=CC=2C=C(CCCCCCC)N(CC=3N=NN(CCCCCC)C3)C(=O)C2C1)C |
| SPLASH |
splash10-05fr-0739700000-d4e6eb290b115e536a6b |
| Source of Spectrum |
ACI-57-SM13-3ka (DOI: 10.1002/anie.201801324) |
| Wiley ID |
1891081 |
![3-n-Heptyl-2-[(1-n-hexyl-1H-1,2,3-triazol-4-yl)methyl]-7-methylisoquinolin-1(2H)-one](/api/spectrum/2i19c6H00e/structure.png?h=300&w=458 "3-n-Heptyl-2-[(1-n-hexyl-1H-1,2,3-triazol-4-yl)methyl]-7-methylisoquinolin-1(2H)-one")
