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

*Links on SpectraBase are not permalinks.

Pyrimidine-2,4,6(1H,3H,5H)-trione, 1-(4-methylphenyl)-5-(5-nitro-2-thienylmethylene)-

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

Pyrimidine-2,4,6(1H,3H,5H)-trione, 1-(4-methylphenyl)-5-(5-nitro-2-thienylmethylene)-
SpectraBase Compound ID 1q0ILrhTrAT
InChI InChI=1S/C16H11N3O5S/c1-9-2-4-10(5-3-9)18-15(21)12(14(20)17-16(18)22)8-11-6-7-13(25-11)19(23)24/h2-8H,1H3,(H,17,20,22)/b12-8+
InChIKey KNKZYXQKHRQLIK-XYOKQWHBSA-N
Mol Weight 357.34 g/mol
Molecular Formula C16H11N3O5S
Exact Mass 357.041942 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

Subscribe to view the full spectrum.

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

SpectraBase Spectrum ID 7ArwDfwebpd
Name Pyrimidine-2,4,6(1H,3H,5H)-trione, 1-(4-methylphenyl)-5-(5-nitro-2-thienylmethylene)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 357.041941635 u
Formula C16H11N3O5S
InChI InChI=1S/C16H11N3O5S/c1-9-2-4-10(5-3-9)18-15(21)12(14(20)17-16(18)22)8-11-6-7-13(25-11)19(23)24/h2-8H,1H3,(H,17,20,22)/b12-8+
InChIKey KNKZYXQKHRQLIK-XYOKQWHBSA-N
Molecular Weight 357.340 g/mol
SMILES CC1=CC=C(N2C(\C(=C\C=3SC(N(=O)=O)=CC3)C(NC2=O)=O)=O)C=C1