| SpectraBase Spectrum ID |
7SI6cfginIC |
| Name |
3-n-Heptyl-2-[(1-n-hexyl-1H-1,2,3-triazol-4-yl)methyl]-8-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/c1-4-6-8-10-11-16-24-18-22-15-13-14-21(3)25(22)26(31)30(24)20-23-19-29(28-27-23)17-12-9-7-5-2/h13-15,18-19H,4-12,16-17,20H2,1-3H3 |
| InChIKey |
LIXIXXBMDLTERA-UHFFFAOYSA-N |
| Instrument Name |
Jeol AccuTOF |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201801324 |
| Molecular Weight |
422.617 g/mol |
| Quality |
127 |
| Reported Formula |
C26H38N4O |
| SMILES |
C=1C=CC=2C=C(CCCCCCC)N(CC=3N=NN(CCCCCC)C3)C(=O)C2C1C |
| SPLASH |
splash10-05fr-6548900000-d421403f12f9f436dda8 |
| Source of Spectrum |
ACI-57-SM17-3oa (DOI: 10.1002/anie.201801324) |
| Wiley ID |
1891085 |
![3-n-Heptyl-2-[(1-n-hexyl-1H-1,2,3-triazol-4-yl)methyl]-8-methylisoquinolin-1(2H)-one](/api/spectrum/7SI6cfginIC/structure.png?h=300&w=458 "3-n-Heptyl-2-[(1-n-hexyl-1H-1,2,3-triazol-4-yl)methyl]-8-methylisoquinolin-1(2H)-one")
