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2-Piperazinone, 4-(4-bromobenzoyl)-3-[2-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]-
SpectraBase Compound ID 3tHj3ZmO2ye
InChI InChI=1S/C24H27BrN4O4/c1-33-20-8-6-19(7-9-20)27-12-14-28(15-13-27)22(30)16-21-23(31)26-10-11-29(21)24(32)17-2-4-18(25)5-3-17/h2-9,21H,10-16H2,1H3,(H,26,31)
InChIKey IEORNYFJIXNFRA-UHFFFAOYSA-N
Mol Weight 515.41 g/mol
Molecular Formula C24H27BrN4O4
Exact Mass 514.121568 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3nQ938DKRBr
Name 2-Piperazinone, 4-(4-bromobenzoyl)-3-[2-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 514.121568361 u
Formula C24H27BrN4O4
InChI InChI=1S/C24H27BrN4O4/c1-33-20-8-6-19(7-9-20)27-12-14-28(15-13-27)22(30)16-21-23(31)26-10-11-29(21)24(32)17-2-4-18(25)5-3-17/h2-9,21H,10-16H2,1H3,(H,26,31)
InChIKey IEORNYFJIXNFRA-UHFFFAOYSA-N
Molecular Weight 515.408 g/mol
SMILES N1C(C(N(CC1)C(C1=CC=C(C=C1)Br)=O)CC(N1CCN(CC1)C=1C=CC(=CC1)OC)=O)=O