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

*Links on SpectraBase are not permalinks.

Uracil, 5-(p-cyanophenyl)-1,3-dimethyl-

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

Uracil, 5-(p-cyanophenyl)-1,3-dimethyl-
SpectraBase Compound ID 6Z9Oyw308dJ
InChI InChI=1S/C13H11N3O2/c1-15-8-11(12(17)16(2)13(15)18)10-5-3-9(7-14)4-6-10/h3-6,8H,1-2H3
InChIKey LPUDJTDFXJOXOW-UHFFFAOYSA-N
Mol Weight 241.25 g/mol
Molecular Formula C13H11N3O2
Exact Mass 241.085127 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID FobSiuNBvRf
Name Uracil, 5-(p-cyanophenyl)-1,3-dimethyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 241.085126604 u
Formula C13H11N3O2
InChI InChI=1S/C13H11N3O2/c1-15-8-11(12(17)16(2)13(15)18)10-5-3-9(7-14)4-6-10/h3-6,8H,1-2H3
InChIKey LPUDJTDFXJOXOW-UHFFFAOYSA-N
Molecular Weight 241.250 g/mol
SMILES CN1C=C(C2=CC=C(C#N)C=C2)C(N(C1=O)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.946886