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

Formula: C17H24BrNO


Canonical SMILES:
CCCCC(c1cc(Br)cc2c1cc[nH]2)(CCCC)O
InChI:
InChI=1S/C17H24BrNO/c1-3-5-8-17(20,9-6-4-2)15-11-13(18)12-16-14(15)7-10-19-16/h7,10-12,19-20H,3-6,8-9H2,1-2H3
InChIKey:
IPVPMKZYBAWPHP-UHFFFAOYSA-N
Exact Mass:
Crosslinks:   


Published on 2023-07-31No License

 

mass spectrometry (MS) 
Author: Niklas Krappel1

1. IBCS-FMS, Karlsruhe Institute of Technology, Germany

Analysis DOI:
Analysis ID:
Content:   
MS (EI, 70 eV, 90 °C), m/z (%): 339/337 (17/16) [M]+, 321/319 (13/14) [M - H2O]+, 282/280 (98/100) [M - n-butyl]+, 85 (38), 57 (41) [n-butyl]+. HRMS–EI (C17H24ON79Br) (m/z): [M]+ calcd 337.1036; found 337.1035.
Datasets