| SpectraBase Spectrum ID |
CfNf3i3mSC3 |
| Name |
2-[1-Oxo-3-(4-trifluoro)-isoquinolin-2(1H)-yl]-pyridine-2-oxide |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
382.092912154 u |
| Formula |
C21H13F3N2O2 |
| InChI |
InChI=1S/C21H13F3N2O2/c22-21(23,24)16-10-8-14(9-11-16)18-13-15-5-1-2-6-17(15)20(27)26(18)19-7-3-4-12-25(19)28/h1-13H |
| InChIKey |
KYXOFYSTLMTLDY-UHFFFAOYSA-N |
| Instrument Name |
Finnigan MAT 95 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201712647 |
| Molecular Weight |
382.342 g/mol |
| Quality |
116 |
| Reported Formula |
C21H13F3N2O2 |
| SMILES |
C12=C(C=C(N(C2=O)C=2[N+](=CC=CC2)[O-])C=2C=CC(=CC2)C(F)(F)F)C=CC=C1 |
| SPLASH |
splash10-004j-7193000000-51513f4565a0369312dd |
| Source of Spectrum |
ACI-57-SM19-3ae (DOI: 10.1002/anie.201712647) |
| Wiley ID |
1891209 |
![2-[1-Oxo-3-(4-trifluoro)-isoquinolin-2(1H)-yl]-pyridine-2-oxide](/api/spectrum/CfNf3i3mSC3/structure.png?h=300&w=458 "2-[1-Oxo-3-(4-trifluoro)-isoquinolin-2(1H)-yl]-pyridine-2-oxide")
