| SpectraBase Spectrum ID |
2eSjCmtImG |
| Name |
3-Benzyl-2-[(1-n-hexyl-1H-1,2,3-triazol-4-yl)methyl]-4-n-propyl-7- (trifluoromethyl)isoquinolin-1(2H)-one |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H33F3N4O |
| InChI |
InChI=1S/C29H33F3N4O/c1-3-5-6-10-16-35-19-23(33-34-35)20-36-27(17-21-12-8-7-9-13-21)25(11-4-2)24-15-14-22(29(30,31)32)18-26(24)28(36)37/h7-9,12-15,18-19H,3-6,10-11,16-17,20H2,1-2H3 |
| InChIKey |
YFTXVENNNRVGDQ-UHFFFAOYSA-N |
| Instrument Name |
Jeol AccuTOF |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201904110 |
| Molecular Weight |
510.605 g/mol |
| Reported Formula |
C29H33F3N4O |
| SMILES |
c1(cc2c(cc1)C(=C(N(C2=O)Cc1c[n](nn1)CCCCCC)Cc1ccccc1)CCC)C(F)(F)F |
| SPLASH |
splash10-01ox-9437030000-90f5830ae6b1c6e2dc15 |
| Source of Spectrum |
ACI-58-SM20-3va |
| Wiley ID |
1875473 |
![3-Benzyl-2-[(1-n-hexyl-1H-1,2,3-triazol-4-yl)methyl]-4-n-propyl-7- (trifluoromethyl)isoquinolin-1(2H)-one](/api/spectrum/2eSjCmtImG/structure.png?h=300&w=458 "3-Benzyl-2-[(1-n-hexyl-1H-1,2,3-triazol-4-yl)methyl]-4-n-propyl-7- (trifluoromethyl)isoquinolin-1(2H)-one")
