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

Formula: C13H16O5S


Canonical SMILES:
COC(=O)CC(OS(=O)(=O)/C=C/c1ccccc1)C
InChI:
InChI=1S/C13H16O5S/c1-11(10-13(14)17-2)18-19(15,16)9-8-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3/b9-8+
InChIKey:
PFQIXBDZPIDCQY-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): 286 (20), 285 (22) [M+H]+, 185 (8), 102 (67), 101 (100). HRMS (EI+, m/z): [M]+ calc. for C13H16O5S 284.0718; found 284.0727.
Datasets