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Hexahydropyrimidine-2,4,6-trione, 5-ethyl-1-methyl-5-phenyl-3-[4-(4-phenylpiperazino)butyl]-
SpectraBase Compound ID HvlRrKjMhpW
InChI InChI=1S/C27H34N4O3/c1-3-27(22-12-6-4-7-13-22)24(32)28(2)26(34)31(25(27)33)17-11-10-16-29-18-20-30(21-19-29)23-14-8-5-9-15-23/h4-9,12-15H,3,10-11,16-21H2,1-2H3
InChIKey XFAQGAONVWVARH-UHFFFAOYSA-N
Mol Weight 462.6 g/mol
Molecular Formula C27H34N4O3
Exact Mass 462.263091 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FClgRSCKy9Q
Name Hexahydropyrimidine-2,4,6-trione, 5-ethyl-1-methyl-5-phenyl-3-[4-(4-phenylpiperazino)butyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 462.263090968 u
Formula C27H34N4O3
InChI InChI=1S/C27H34N4O3/c1-3-27(22-12-6-4-7-13-22)24(32)28(2)26(34)31(25(27)33)17-11-10-16-29-18-20-30(21-19-29)23-14-8-5-9-15-23/h4-9,12-15H,3,10-11,16-21H2,1-2H3
InChIKey XFAQGAONVWVARH-UHFFFAOYSA-N
Molecular Weight 462.594 g/mol
SMILES C1(N(C(C(C(N1CCCCN1CCN(C2=CC=CC=C2)CC1)=O)(C1=CC=CC=C1)CC)=O)C)=O