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benzenemethanamine, 4-chloro-N-[5-[4-(4-methylbenzoyl)-1-piperazinyl]-2-nitrophenyl]-
SpectraBase Compound ID 3I9Ot8iUHlL
InChI InChI=1S/C25H25ClN4O3/c1-18-2-6-20(7-3-18)25(31)29-14-12-28(13-15-29)22-10-11-24(30(32)33)23(16-22)27-17-19-4-8-21(26)9-5-19/h2-11,16,27H,12-15,17H2,1H3
InChIKey INGNQIRKKDRQHX-UHFFFAOYSA-N
Mol Weight 464.95 g/mol
Molecular Formula C25H25ClN4O3
Exact Mass 464.161518 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7eYFhXHcPKu
Name benzenemethanamine, 4-chloro-N-[5-[4-(4-methylbenzoyl)-1-piperazinyl]-2-nitrophenyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 464.161518378 u
Formula C25H25ClN4O3
InChI InChI=1S/C25H25ClN4O3/c1-18-2-6-20(7-3-18)25(31)29-14-12-28(13-15-29)22-10-11-24(30(32)33)23(16-22)27-17-19-4-8-21(26)9-5-19/h2-11,16,27H,12-15,17H2,1H3
InChIKey INGNQIRKKDRQHX-UHFFFAOYSA-N
Molecular Weight 464.953 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_7105
Solvent DMSO-d6
Source Vendor ID: NMR/10220708; Lab Info: LP; Lab Number: LP-2501204
Temperature 29.85 °C