| SpectraBase Spectrum ID |
4ddjiaC5uy |
| Name |
4-Benzylisoquinolin-1-yl trifluoromethanesulfonate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
367.048998910 u |
| Formula |
C17H12F3NO3S |
| InChI |
InChI=1S/C17H12F3NO3S/c18-17(19,20)25(22,23)24-16-15-9-5-4-8-14(15)13(11-21-16)10-12-6-2-1-3-7-12/h1-9,11H,10H2 |
| InChIKey |
SGLYJZJIFOZTBI-UHFFFAOYSA-N |
| Instrument Name |
Finnigan SSQ Finnigan 7000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201710776 |
| Molecular Weight |
367.342 g/mol |
| Quality |
121 |
| Reported Formula |
C17H12F3NO3S |
| SMILES |
C=1(CC=2C=3C=CC=CC3C(OS(C(F)(F)F)(=O)=O)=NC2)C=CC=CC1 |
| SPLASH |
splash10-0690-9580000000-3043c9fea10d74bcf94d |
| Source of Spectrum |
ACI-56-SM56-8 (DOI: 10.1002/anie.201710776) |
| Thin-Layer Chromatography |
0.3 (pentane/EtOAc, 20:1) |
| Wiley ID |
1896691 |
