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

Formula: C13H16O4S


Canonical SMILES:
CC(COS(=O)(=O)c1cc2c(o1)cccc2)(C)C
InChI:
InChI=1S/C13H16O4S/c1-13(2,3)9-16-18(14,15)12-8-10-6-4-5-7-11(10)17-12/h4-8H,9H2,1-3H3
InChIKey:
DOFKASQWDJPMSY-UHFFFAOYSA-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 (ESI+, m/z): 334 (94), 333 (100) [M+2CH3OH+H]+, 331 (9), 330 (10), 302 (12), 301 (15) [M+CH3OH+H]+, 287 (17), 286 (26), 278 (8), 277 (12), 268 (<1) [M]+. Impurities: 336 (11), 335 (17). HRMS (EI+, m/z): [M]+ calc. for C13H16O4S 268.0769; found 268.0781.
Datasets