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

Formula: C14H20O4S


Canonical SMILES:
COc1ccc(cc1)/C=C/S(=O)(=O)OCC(C)(C)C
InChI:
InChI=1S/C14H20O4S/c1-14(2,3)11-18-19(15,16)10-9-12-5-7-13(17-4)8-6-12/h5-10H,11H2,1-4H3/b10-9+
InChIKey:
CXLLNBAHTNGKGY-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): 287 (10), 286 (66), 285 (69) [M+H]+, 216 (80), 215 (100), 198 (9), 197 (15), 135 (11), 134 (21), 133 (8). HRMS (EI+, m/z): [M]+ calc. for C14H20O4S 284.1082; found 284.1100.
Datasets