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5-(3,7-Dimethyl-6-octenyl)-1,3-diphenylbarbituric acid

View entire compound with spectra: 1 NMR, and 1 FTIR

5-(3,7-Dimethyl-6-octenyl)-1,3-diphenylbarbituric acid
SpectraBase Compound ID DR6RSZe8iYL
InChI InChI=1S/C26H30N2O3/c1-19(2)11-10-12-20(3)17-18-23-24(29)27(21-13-6-4-7-14-21)26(31)28(25(23)30)22-15-8-5-9-16-22/h4-9,11,13-16,20,23H,10,12,17-18H2,1-3H3
InChIKey QCVILCCEDRHYEF-UHFFFAOYSA-N
Mol Weight 418.54 g/mol
Molecular Formula C26H30N2O3
Exact Mass 418.225643 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IgXMun8NG2Q
Name 5-(3,7-Dimethyl-6-octenyl)-1,3-diphenylbarbituric acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 418.225642831 u
Formula C26H30N2O3
InChI InChI=1S/C26H30N2O3/c1-19(2)11-10-12-20(3)17-18-23-24(29)27(21-13-6-4-7-14-21)26(31)28(25(23)30)22-15-8-5-9-16-22/h4-9,11,13-16,20,23H,10,12,17-18H2,1-3H3
InChIKey QCVILCCEDRHYEF-UHFFFAOYSA-N
Molecular Weight 418.537 g/mol
SMILES C1=C(N2C(N(C(C(C2=O)CCC(CCC=C(C)C)C)=O)C=2C=CC=CC2)=O)C=CC=C1