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

View entire compound with spectra: 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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4e00R8QMwJO
Name 1,5,5-Tricinnamyl-2-thiobarbituric acidl
Alternate Name(s) 1,5,5-Tricinnamyl-2-thiobabituric acid 1,5,5-Tricinnamyl-2-thiobabituric acidl 1,5,5-Tricinnamyl-2-thiobarbituric acid 1,5,5-tris[(2E)-3-phenyl-2-propenyl]-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 N1C(C(C(N(C1=S)C\C=C\c1ccccc1)=O)(C\C=C\c1ccccc1)C\C=C\c1ccccc1)=O
SPLASH splash10-014l-1910000000-18286bac2ed647e07dc2
Source of Spectrum F-49-1462-16
Wiley ID 1397642