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

Formula: C15H20O5S


Canonical SMILES:
CC(=O)Oc1ccc(cc1)/C=C/S(=O)(=O)OCC(C)(C)C
InChI:
InChI=1S/C15H20O5S/c1-12(16)20-14-7-5-13(6-8-14)9-10-21(17,18)19-11-15(2,3)4/h5-10H,11H2,1-4H3/b10-9+
InChIKey:
XSFAWQKHXVRJFW-MDZDMXLPSA-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): 314 (4), 313 (4) [M+H]+, 276 (19), 275 (25), 271 (4), 246 (6), 245 (7), 244 (69), 243 (100), 202 (24), 201 (33), 184 (4), 183 (6), 119 (6). Impurities: 331 (6), 330 (5). HRMS (EI+, m/z): [M]+ calc. for C15H20O5S 312.1031; found 312.1041.
Datasets