| SpectraBase Spectrum ID |
ERyfjlWuw7n |
| Name |
3-n-Heptyl-2-[(1-n-hexyl-1H-1,2,3-triazol-4-yl)methyl]-6-(trifluoromethyl)isoquinolin-1(2H)-one |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H35F3N4O |
| InChI |
InChI=1S/C26H35F3N4O/c1-3-5-7-9-10-12-23-17-20-16-21(26(27,28)29)13-14-24(20)25(34)33(23)19-22-18-32(31-30-22)15-11-8-6-4-2/h13-14,16-18H,3-12,15,19H2,1-2H3 |
| InChIKey |
RQCPUBKQNAPVES-UHFFFAOYSA-N |
| Instrument Name |
Jeol AccuTOF |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201801324 |
| Molecular Weight |
476.588 g/mol |
| Quality |
127 |
| Reported Formula |
C26H35F3N4O |
| SMILES |
C=1C(C(F)(F)F)=CC=2C=C(CCCCCCC)N(CC=3N=NN(CCCCCC)C3)C(=O)C2C1 |
| SPLASH |
splash10-004l-6432900000-691eda89afd778d00bc4 |
| Source of Spectrum |
ACI-57-SM12-3ha (DOI: 10.1002/anie.201801324) |
| Wiley ID |
1891079 |
![3-n-Heptyl-2-[(1-n-hexyl-1H-1,2,3-triazol-4-yl)methyl]-6-(trifluoromethyl)isoquinolin-1(2H)-one](/api/spectrum/ERyfjlWuw7n/structure.png?h=300&w=458 "3-n-Heptyl-2-[(1-n-hexyl-1H-1,2,3-triazol-4-yl)methyl]-6-(trifluoromethyl)isoquinolin-1(2H)-one")
