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

Formula: C14H20O3S


Canonical SMILES:
CC(=Cc1ccccc1)S(=O)(=O)OCC(C)(C)C
InChI:
InChI=1S/C14H20O3S/c1-12(10-13-8-6-5-7-9-13)18(15,16)17-11-14(2,3)4/h5-10H,11H2,1-4H3
InChIKey:
YBXNPAWLMZRFQT-UHFFFAOYSA-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): 538 (59), 537 (80) [2M+H]+, 468 (5), 467 (8), 332 (6), 331 (16), 330 (76), 329 (100), 288 (5), 287 (11), 286 (22), 271 (5), 270 (30), 269 (56) [M+H]+, 268 (7), 259 (10), 241 (5), 231 (15), 203 (5), 200 (5), 199 (28), 181 (8), 158 (6), 157 (8), 118 (5), 117 (13). Impurities: 598 (6), 597 (6), 540 (14), 539 (24). HRMS (EI+, m/z): [M]+ calc. for C14H20O3S 268.1127; found 268.1129.
Datasets