| SpectraBase Spectrum ID |
BWEhIr42JOL |
| Name |
p-toluenesulfonic acid 7-(2,2- dimethylpropionyl)-5-iodo(quinolin-8-yl) ester |
| Appearance |
Pale yellow solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H20INO4S |
| InChI |
InChI=1S/C21H20INO4S/c1-13-7-9-14(10-8-13)28(25,26)27-19-16(20(24)21(2,3)4)12-17(22)15-6-5-11-23-18(15)19/h5-12H,1-4H3 |
| InChIKey |
RKKRLEQMAWNCFO-UHFFFAOYSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.7.147 |
| Molecular Weight |
509.358 g/mol |
| Reported Formula |
C21H20INO4S |
| SMILES |
c12cccnc2c(OS(=O)(=O)c2ccc(cc2)C)c(C(=O)C(C)(C)C)cc1I |
| SPLASH |
splash10-0f6t-2352900000-78e9032485bcd82fb30e |
| Source of Spectrum |
BJO-7-SM3-24 |
| Wiley ID |
1867120 |
