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5,5-bis(3,7-Dimethyl-2,6-octadienyl)barbituric acid

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5,5-bis(3,7-Dimethyl-2,6-octadienyl)barbituric acid
SpectraBase Compound ID 62gh012XnRA
InChI InChI=1S/C24H36N2O3/c1-17(2)9-7-11-19(5)13-15-24(21(27)25-23(29)26-22(24)28)16-14-20(6)12-8-10-18(3)4/h9-10,13-14H,7-8,11-12,15-16H2,1-6H3,(H2,25,26,27,28,29)
InChIKey LZGSPVIAJHVFJD-UHFFFAOYSA-N
Mol Weight 400.6 g/mol
Molecular Formula C24H36N2O3
Exact Mass 400.272593 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5u3yf3rgizS
Name 5,5-bis(3,7-Dimethyl-2,6-octadienyl)barbituric acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 400.272593024 u
Formula C24H36N2O3
InChI InChI=1S/C24H36N2O3/c1-17(2)9-7-11-19(5)13-15-24(21(27)25-23(29)26-22(24)28)16-14-20(6)12-8-10-18(3)4/h9-10,13-14H,7-8,11-12,15-16H2,1-6H3,(H2,25,26,27,28,29)
InChIKey LZGSPVIAJHVFJD-UHFFFAOYSA-N
Molecular Weight 400.563 g/mol
SMILES N1C(NC(C(C1=O)(CC=C(CCC=C(C)C)C)CC=C(CCC=C(C)C)C)=O)=O