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

Formula: C12H16O3S2


Canonical SMILES:
COC(=O)C(=C1SCCS1)C1CCCC(=O)C1
InChI:
InChI=1S/C12H16O3S2/c1-15-11(14)10(12-16-5-6-17-12)8-3-2-4-9(13)7-8/h8H,2-7H2,1H3
InChIKey:
ZNUPABCJWDFYLZ-UHFFFAOYSA-N
Exact Mass:
Crosslinks:   


Published on 2022-02-12This work is licensed under a Creative Commons Attribution-ShareAlike 4.0 International License.

 

electron ionisation mass spectrometry (EI-MS) 
Author: Sylvia Vanderheiden-Schroen1

1. Institute of Organic Chemistry, Karlsruhe Institute of Technology, Germany

Analysis DOI:
Analysis ID:
Content:   
MS (EI, 70 eV, 40°C), m/z (%): 272 (5) [M]+, 181 (8), 131 (8), 88 (11), 86 (63), 84 (100), 69 (10). HRMS–EI (m/z) (C12H16O3S2): [M]+ calcd for 272.0535; found 272.0534.
Datasets