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

Formula: C16H26O6S3


Canonical SMILES:
CC(COS(=O)(=O)/C=C/c1ccc(s1)S(=O)(=O)OCC(C)(C)C)(C)C
InChI:
InChI=1S/C16H26O6S3/c1-15(2,3)11-21-24(17,18)10-9-13-7-8-14(23-13)25(19,20)22-12-16(4,5)6/h7-10H,11-12H2,1-6H3/b10-9+
InChIKey:
MPYVFYCPJCYBAC-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): 412 (30), 411 (100) [M+H]+, 410 (83) [M]+, 127 (10). HRMS (EI+, m/z): [M]+ calc. for C16H26O6S3 410.0892; found 410.0913.
Datasets