| SpectraBase Spectrum ID |
J5LjQMwdKxW |
| Name |
4-Benzyl-2-methoxy-6-(trifluoromethyl)isoquinolin-1(2H)-one |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
333.097663182 u |
| Formula |
C18H14F3NO2 |
| InChI |
InChI=1S/C18H14F3NO2/c1-24-22-11-13(9-12-5-3-2-4-6-12)16-10-14(18(19,20)21)7-8-15(16)17(22)23/h2-8,10-11H,9H2,1H3 |
| InChIKey |
XBHXCKQDIRVUIT-UHFFFAOYSA-N |
| Instrument Name |
Finnigan SSQ Finnigan 7000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201710776 |
| Molecular Weight |
333.310 g/mol |
| Quality |
2 |
| Reported Formula |
C18H14F3NO2 |
| SMILES |
C1(=CC=CC=C1)CC1=CN(C(C2=C1C=C(C=C2)C(F)(F)F)=O)OC |
| SPLASH |
splash10-003r-0129000000-cc353ac59b77b0dd6f84 |
| Source of Spectrum |
ACI-56-SM29-3ca (DOI: 10.1002/anie.201710776) |
| Thin-Layer Chromatography |
0.4 (pentane/EtOAc, 5:1) |
| Wiley ID |
1896655 |
