SpectraBase Spectrum ID |
KoSx6E2gMyB |
Name |
(3-oxocyclopenten-1-yl) 4-methylbenzenesulfonate |
Appearance |
Off-white solid |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C12H12O4S |
InChI |
InChI=1S/C12H12O4S/c1-9-2-6-12(7-3-9)17(14,15)16-11-5-4-10(13)8-11/h2-3,6-8H,4-5H2,1H3 |
InChIKey |
DUNMIVQLQNMUET-UHFFFAOYSA-N |
Instrument Name |
FINNIGAN MAT 95Q |
Ionization Type |
EI |
Literature Reference DOI |
10.1002/chem.202002297 |
Molecular Weight |
252.284 g/mol |
Reported Formula |
C12H12O4S |
SMILES |
C1CC(OS(c2ccc(C)cc2)(=O)=O)=CC1=O |
SPLASH |
splash10-0a4l-6900000000-9c68e24dd370a1ebd530 |
Source of Spectrum |
QE-76-SM5-5a |
Wiley ID |
1843551 |