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

*Links on SpectraBase are not permalinks.

5-Ethoxy-2-(pyrimidin-2-yl)benzonitrile

View entire compound with spectra: 1 MS (GC)

5-Ethoxy-2-(pyrimidin-2-yl)benzonitrile
SpectraBase Compound ID 5A5mAbe2GrE
InChI InChI=1S/C13H11N3O/c1-2-17-11-4-5-12(10(8-11)9-14)13-15-6-3-7-16-13/h3-8H,2H2,1H3
InChIKey JXECGQCEDLYPCI-UHFFFAOYSA-N
Mol Weight 225.25 g/mol
Molecular Formula C13H11N3O
Exact Mass 225.090212 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 DCZeOgAwRmY
Name 5-Ethoxy-2-(pyrimidin-2-yl)benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11N3O
InChI InChI=1S/C13H11N3O/c1-2-17-11-4-5-12(10(8-11)9-14)13-15-6-3-7-16-13/h3-8H,2H2,1H3
InChIKey JXECGQCEDLYPCI-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo500087g
Molecular Weight 225.251 g/mol
SMILES c1cnc(-c2c(cc(cc2)OCC)C#N)nc1
SPLASH splash10-002e-0920000000-6cf0b0c1972021861288
Source of Spectrum J-79-3233-2d
Wiley ID 1746129