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

Formula: C18H18


Canonical SMILES:
C=Cc1cc2CCc3ccc(CCc1cc2)cc3
InChI:
InChI=1S/C18H18/c1-2-17-13-16-8-7-14-3-5-15(6-4-14)9-11-18(17)12-10-16/h2-6,10,12-13H,1,7-9,11H2
InChIKey:
ITQUKLNMBHVYJB-UHFFFAOYSA-N
Exact Mass:
Crosslinks:   


Published on 2021-05-25This work is licensed under a Creative Commons Attribution-ShareAlike 4.0 International License.

 

electron ionisation mass spectrometry (EI-MS) 
Author: Christoph Zippel1

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

Analysis DOI:
Analysis ID:
Content:   
MS (EI, 70 eV, 20 °C, %) m/z = 234 (35) [M]+, 130 (48) [M–C8H8]+, 129 (100) [M–C8H9]+, 104 (23) [C8H8]+. HRMS (EI, [M]+, C8H18) calcd.: 234.1409; found: 234.1407.
Datasets