| SpectraBase Spectrum ID |
8cVBRocvOy9 |
| Name |
5-Fluoro-3-n-heptyl-2-[(1-n-hexyl-1H-1,2,3-triazol-4-yl)methyl]isoquinolin-1(2H)-one |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H35FN4O |
| InChI |
InChI=1S/C25H35FN4O/c1-3-5-7-9-10-13-21-17-23-22(14-12-15-24(23)26)25(31)30(21)19-20-18-29(28-27-20)16-11-8-6-4-2/h12,14-15,17-18H,3-11,13,16,19H2,1-2H3 |
| InChIKey |
HLDLFMJOPQYBRL-UHFFFAOYSA-N |
| Instrument Name |
Jeol AccuTOF |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201801324 |
| Molecular Weight |
426.580 g/mol |
| Quality |
40 |
| Reported Formula |
C25H35FN4O |
| SMILES |
C=1C=C(C=2C=C(CCCCCCC)N(CC=3N=NN(CCCCCC)C3)C(=O)C2C1)F |
| SPLASH |
splash10-004i-0926600000-d3977ff33ebc84ce195d |
| Source of Spectrum |
ACI-57-SM15-3la' (DOI: 10.1002/anie.201801324) |
| Wiley ID |
1891082 |
![5-Fluoro-3-n-heptyl-2-[(1-n-hexyl-1H-1,2,3-triazol-4-yl)methyl]isoquinolin-1(2H)-one](/api/spectrum/8cVBRocvOy9/structure.png?h=300&w=458 "5-Fluoro-3-n-heptyl-2-[(1-n-hexyl-1H-1,2,3-triazol-4-yl)methyl]isoquinolin-1(2H)-one")
