| SpectraBase Spectrum ID |
A8L1NSeLa7X |
| Name |
2-[(1-n-Hexyl-1H-1,2,3-triazol-4-yl)methyl]-3-[4-(trifluoromethyl)phenethyl]isoquinolin-1(2H)-one |
| Appearance |
Pale yellow solid |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
482.229346058 u |
| Formula |
C27H29F3N4O |
| InChI |
InChI=1S/C27H29F3N4O/c1-2-3-4-7-16-33-18-23(31-32-33)19-34-24(17-21-8-5-6-9-25(21)26(34)35)15-12-20-10-13-22(14-11-20)27(28,29)30/h5-6,8-11,13-14,17-18H,2-4,7,12,15-16,19H2,1H3 |
| InChIKey |
NKIBCIDEEVJBMC-UHFFFAOYSA-N |
| Instrument Name |
Jeol AccuTOF |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201801324 |
| Molecular Weight |
482.551 g/mol |
| Quality |
41 |
| Reported Formula |
C27H29F3N4O |
| SMILES |
C1=CC2=C(C=C(N(C2=O)CC2=CN(CCCCCC)N=N2)CCC=2C=CC(C(F)(F)F)=CC2)C=C1 |
| SPLASH |
splash10-00lr-0517900000-4a23867006f99dbe2db0 |
| Source of Spectrum |
ACI-57-SM24-3am (DOI: 10.1002/anie.201801324) |
| Wiley ID |
1891072 |
![2-[(1-n-Hexyl-1H-1,2,3-triazol-4-yl)methyl]-3-[4-(trifluoromethyl)phenethyl]isoquinolin-1(2H)-one](/api/spectrum/A8L1NSeLa7X/structure.png?h=300&w=458 "2-[(1-n-Hexyl-1H-1,2,3-triazol-4-yl)methyl]-3-[4-(trifluoromethyl)phenethyl]isoquinolin-1(2H)-one")
