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:
O=S(=O)(OC1CCOCC1)/C=C/c1ccccc1
InChI:
InChI=1S/C13H16O4S/c14-18(15,17-13-6-9-16-10-7-13)11-8-12-4-2-1-3-5-12/h1-5,8,11,13H,6-7,9-10H2/b11-8+
InChIKey:
XMTQMZHHYLURMF-DHZHZOJOSA-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): 303 (8), 302 (66), 301 (100) [M+CH3OH+H]+, 287 (13), 286 (21), 278 (9), 277 (12), 269 (14) [M+H]+. HRMS (EI+, m/z): [M]+ calc. for C13H16O4S 268.0769; found 268.0763.
Datasets