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

*Links on SpectraBase are not permalinks.

1,5,5-Tricinnamyl-2-thiobarbituric acidl

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

1,5,5-Tricinnamyl-2-thiobarbituric acidl
SpectraBase Compound ID JB59kDukY56
InChI InChI=1S/C31H28N2O2S/c34-28-31(22-10-19-25-13-4-1-5-14-25,23-11-20-26-15-6-2-7-16-26)29(35)33(30(36)32-28)24-12-21-27-17-8-3-9-18-27/h1-21H,22-24H2,(H,32,34,36)/b19-10+,20-11+,21-12+
InChIKey ITLRPLDHZDFDJZ-AUCPOXKISA-N
Mol Weight 492.64 g/mol
Molecular Formula C31H28N2O2S
Exact Mass 492.187149 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 7xGJIP2o2xb
Name 1,5,5-Tricinnamyl-2-thiobarbituric acidl
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 492.187149322 u
Formula C31H28N2O2S
InChI InChI=1S/C31H28N2O2S/c34-28-31(22-10-19-25-13-4-1-5-14-25,23-11-20-26-15-6-2-7-16-26)29(35)33(30(36)32-28)24-12-21-27-17-8-3-9-18-27/h1-21H,22-24H2,(H,32,34,36)/b19-10+,20-11+,21-12+
InChIKey ITLRPLDHZDFDJZ-AUCPOXKISA-N
Molecular Weight 492.637 g/mol
SMILES C1(N(C(C(C(N1)=O)(C\C=C\C1=CC=CC=C1)C\C=C\C1=CC=CC=C1)=O)C\C=C\C1=CC=CC=C1)=S