| SpectraBase Spectrum ID |
Cicm0Rs5hbg |
| Name |
2-[6-(Methylthio)-1-oxo-3-phenylisoquinolin-2(1H)-yl]-pyridine-1-oxide |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H16N2O2S |
| InChI |
InChI=1S/C21H16N2O2S/c1-26-17-10-11-18-16(13-17)14-19(15-7-3-2-4-8-15)23(21(18)24)20-9-5-6-12-22(20)25/h2-14H,1H3 |
| InChIKey |
DCULYMHCAWHKIW-UHFFFAOYSA-N |
| Instrument Name |
Finnigan MAT 95 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/cssc.202000057 |
| Molecular Weight |
360.431 g/mol |
| Reported Formula |
C21H16N2O2S |
| SMILES |
c1cc2c(cc1SC)C=C(N(C2=O)c1[n+](cccc1)[O-])c1ccccc1 |
| SPLASH |
splash10-001i-3912000000-af7dc1e44bbbb050e3c8 |
| Source of Spectrum |
CSC-13-SM14-3ga |
| Wiley ID |
1840063 |
![2-[6-(Methylthio)-1-oxo-3-phenylisoquinolin-2(1H)-yl]-pyridine-1-oxide](/api/spectrum/Cicm0Rs5hbg/structure.png?h=300&w=458 "2-[6-(Methylthio)-1-oxo-3-phenylisoquinolin-2(1H)-yl]-pyridine-1-oxide")
