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

Formula: C15H18OS2


Canonical SMILES:
CCC(=O)CCC(=C1SCCS1)c1ccccc1
InChI:
InChI=1S/C15H18OS2/c1-2-13(16)8-9-14(15-17-10-11-18-15)12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3
InChIKey:
MQHLDGLJNBYOQQ-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, 50 °C): 278 (68) [M]+, 221 (21), 207 (100), 181 (33), 131 (32), 69 (51), 57 (23); HRMS–EI (m/z): [M] calcd for C15H18OS2, 278.0799; found, 278.0800.
Datasets