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

Formula: C25H22OS2


Canonical SMILES:
O=C(c1ccccc1)CC(C(=C1SCCS1)c1ccccc1)c1ccccc1
InChI:
InChI=1S/C25H22OS2/c26-23(20-12-6-2-7-13-20)18-22(19-10-4-1-5-11-19)24(25-27-16-17-28-25)21-14-8-3-9-15-21/h1-15,22H,16-18H2
InChIKey:
GEPFNJDSCKCSTO-UHFFFAOYSA-N
Exact Mass:
Crosslinks:   


Published on 2018-04-28This work is licensed under a Creative Commons Attribution-ShareAlike 4.0 International License.

 

mass spectrometry (MS) 
Author: Simone Gräßle
Analysis DOI:
Analysis ID:
Content:   
EI (m/z, 70 eV, 170 °C): 402 (63) [M]+, 309 (39), 283 (85), 223 (41), 209 (27), 178 (29), 121 (24), 105 (100), 77 (82), 69 (40); HRMS–EI (m/z): [M]+ calcd for C25H22OS2, 402.1007; found, 402.1108.
Datasets