| SpectraBase Spectrum ID |
DAqVrgiYJkm |
| Name |
3-Benzyl-6-chloro-2-[(1-n-hexyl-1H-1,2,3-triazol-4-yl)methyl]-4-n-propylisoquinolin-1(2H)-one |
| Appearance |
Pale yellow solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H33ClN4O |
| InChI |
InChI=1S/C28H33ClN4O/c1-3-5-6-10-16-32-19-23(30-31-32)20-33-27(17-21-12-8-7-9-13-21)24(11-4-2)26-18-22(29)14-15-25(26)28(33)34/h7-9,12-15,18-19H,3-6,10-11,16-17,20H2,1-2H3 |
| InChIKey |
GJECRKOASQRMLY-UHFFFAOYSA-N |
| Instrument Name |
Jeol AccuTOF |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201904110 |
| Molecular Weight |
477.052 g/mol |
| Reported Formula |
C28H33(35)ClN4O |
| SMILES |
c1cc2c(cc1Cl)C(=C(N(C2=O)Cc1c[n](nn1)CCCCCC)Cc1ccccc1)CCC |
| SPLASH |
splash10-03di-4594400000-bcde491c1646eb8b09e7 |
| Source of Spectrum |
ACI-58-SM13-3ka |
| Wiley ID |
1875463 |
![3-Benzyl-6-chloro-2-[(1-n-hexyl-1H-1,2,3-triazol-4-yl)methyl]-4-n-propylisoquinolin-1(2H)-one](/api/spectrum/DAqVrgiYJkm/structure.png?h=300&w=458 "3-Benzyl-6-chloro-2-[(1-n-hexyl-1H-1,2,3-triazol-4-yl)methyl]-4-n-propylisoquinolin-1(2H)-one")
