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

Formula: C18H18O


Canonical SMILES:
CC(=O)c1cc2CCc3ccc(CCc1cc2)cc3
InChI:
InChI=1S/C18H18O/c1-13(19)18-12-16-7-6-14-2-4-15(5-3-14)8-10-17(18)11-9-16/h2-5,9,11-12H,6-8,10H2,1H3
InChIKey:
BMIQCMMQLWBYIU-UHFFFAOYSA-N
Exact Mass:
Crosslinks:   


Published on 2021-06-11This 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 = 250 (85) [M]+, 146 (100) [M–C8H9]+, 104 (81) [C8H8]+. HRMS (EI, [M]+, C18H18O) calcd.: 250.1352, found: 250.1354.
Datasets