For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-[(2-Bromophenyl)ethynyl]-1-(pyrimidin-2-yl)-1H-indole
SpectraBase Compound ID 2X8OGGzQEFj
InChI InChI=1S/C20H12BrN3/c21-18-8-3-1-6-15(18)10-11-17-14-16-7-2-4-9-19(16)24(17)20-22-12-5-13-23-20/h1-9,12-14H
InChIKey ZWSAMXSGCDXROM-UHFFFAOYSA-N
Mol Weight 374.24 g/mol
Molecular Formula C20H12BrN3
Exact Mass 373.02146 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 9sWP0eEeBml
Name 2-[(2-Bromophenyl)ethynyl]-1-(pyrimidin-2-yl)-1H-indole
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 373.021460398 u
Formula C20H12BrN3
InChI InChI=1S/C20H12BrN3/c21-18-8-3-1-6-15(18)10-11-17-14-16-7-2-4-9-19(16)24(17)20-22-12-5-13-23-20/h1-9,12-14H
InChIKey ZWSAMXSGCDXROM-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/anie.201611118
Molecular Weight 374.241 g/mol
Quality 49
Reported Formula C20H12BrN3
SMILES C1=CC2=C(C=C1)N(C(=C2)C#CC1=CC=CC=C1Br)C1=NC=CC=N1
SPLASH splash10-00di-0019000000-2caccbfc71c17dd45524
Source of Spectrum ACI-56-SM27-5bk (DOI: 10.1002/anie.201611118)
Wiley ID 1895481