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N-(3,4-dichlorophenyl)-4-[2-({[4-(4-methylphenyl)-2,6-dioxocyclohexylidene]methyl}amino)ethyl]-1-piperazinecarboxamide
SpectraBase Compound ID CJ2d4fO6xCX
InChI InChI=1S/C27H30Cl2N4O3/c1-18-2-4-19(5-3-18)20-14-25(34)22(26(35)15-20)17-30-8-9-32-10-12-33(13-11-32)27(36)31-21-6-7-23(28)24(29)16-21/h2-7,16-17,20,30H,8-15H2,1H3,(H,31,36)/b22-17-
InChIKey PQMUMXXWLBWEAM-XLNRJJMWSA-N
Mol Weight 529.47 g/mol
Molecular Formula C27H30Cl2N4O3
Exact Mass 528.169496 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7YWMJTBzO9d
Name N-(3,4-dichlorophenyl)-4-[2-({[4-(4-methylphenyl)-2,6-dioxocyclohexylidene]methyl}amino)ethyl]-1-piperazinecarboxamide
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C27H30Cl2N4O3/c1-18-2-4-19(5-3-18)20-14-25(34)22(26(35)15-20)17-30-8-9-32-10-12-33(13-11-32)27(36)31-21-6-7-23(28)24(29)16-21/h2-7,16-17,20,30H,8-15H2,1H3,(H,31,36)/b22-17-
InChIKey PQMUMXXWLBWEAM-XLNRJJMWSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_29083
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D91237; Labnumber: VGU-0022619; SBI_ID: SBI-029087
Temperature 318 °C