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

Formula: C17H20O3S


Canonical SMILES:
CC(COS(=O)(=O)/C=C/c1ccc2c(c1)cccc2)(C)C
InChI:
InChI=1S/C17H20O3S/c1-17(2,3)13-20-21(18,19)11-10-14-8-9-15-6-4-5-7-16(15)12-14/h4-12H,13H2,1-3H3/b11-10+
InChIKey:
RBMWJOBEYRKEOU-ZHACJKMWSA-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): 611 (14), 610 (39) [2M+H]+, 367 (14), 366 (48), 365 (37), 306 (45), 305 (43) [M+H]+, 254 (10), 253 (14), 244 (43), 243 (47), 237 (11), 236 (71), 235 (100). HRMS (EI+, m/z): [M]+ calc. for C17H20O3S 304.1133; found 304.1131.
Datasets