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

Formula: C14H18O3S


Canonical SMILES:
O=S(=O)(OC1CCCCC1)/C=C/c1ccccc1
InChI:
InChI=1S/C14H18O3S/c15-18(16,17-14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1,3-4,7-8,11-12,14H,2,5-6,9-10H2/b12-11+
InChIKey:
NABCLFIQWWOVSR-VAWYXSNFSA-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): 370 (41), 369 (42) [Dimer Fragment (185)+H]+, 328 (11), 327 (11), 268 (24), 267 (25) [M+H]+, 246 (20), 245 (26), 244 (31), 243 (34), 228 (9), 227 (10), 203 (10), 186 (64), 185 (100), 167 (8). HRMS (EI+, m/z): [M]+ calc. for C14H18O3S 266.0977; found 266.0992.
Datasets