This information is based on the molecular structure shown on the left side. For a decoupled sample, please refer to its individual details.

Formula: C12H16O3S


Canonical SMILES:
CC(COS(=O)(=O)/C=C/c1ccccc1)C
InChI:
InChI=1S/C12H16O3S/c1-11(2)10-15-16(13,14)9-8-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3/b9-8+
InChIKey:
KIKXBEOFOKXQCA-CMDGGOBGSA-N
Exact Mass:
Crosslinks:   


Published on 2024-10-15This work is licensed under a Creative Commons Attribution 4.0 International License.

 

mass spectrometry (MS) 
Authors: Po-Chung Chien1 - Georg Manolikakes2

1. Chemistry, RPTU Kaiserslautern, Germany

2. Department of Chemistry, RPTU Kaiserslautern-Landau, Germany

Analysis DOI:
Analysis ID:
Content:   
MS (APCI, m/z): 242 (18), 241 (20) [M+H]+, 212 (7), 211 (9), 203 (9), 186 (64), 185 (100). Impurities: 302 (10), 301 (10), 286 (8), 285 (9), 244 (16), 243 (19). HRMS (EI+, m/z): [M]+ calc. for C12H16O3S 240.0820; found 240.0826.
Datasets