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benzenemethanamine, N-[5-[4-(2-chloro-4,5-difluorobenzoyl)-1-piperazinyl]-2-nitrophenyl]-alpha-methyl-
SpectraBase Compound ID EGOD5qJWPBO
InChI InChI=1S/C25H23ClF2N4O3/c1-16(17-5-3-2-4-6-17)29-23-13-18(7-8-24(23)32(34)35)30-9-11-31(12-10-30)25(33)19-14-21(27)22(28)15-20(19)26/h2-8,13-16,29H,9-12H2,1H3
InChIKey FODVQDZJVJGBFM-UHFFFAOYSA-N
Mol Weight 500.93 g/mol
Molecular Formula C25H23ClF2N4O3
Exact Mass 500.142675 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5YDrF9UVCYj
Name benzenemethanamine, N-[5-[4-(2-chloro-4,5-difluorobenzoyl)-1-piperazinyl]-2-nitrophenyl]-alpha-methyl-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 500.142674640 u
Formula C25H23ClF2N4O3
InChI InChI=1S/C25H23ClF2N4O3/c1-16(17-5-3-2-4-6-17)29-23-13-18(7-8-24(23)32(34)35)30-9-11-31(12-10-30)25(33)19-14-21(27)22(28)15-20(19)26/h2-8,13-16,29H,9-12H2,1H3
InChIKey FODVQDZJVJGBFM-UHFFFAOYSA-N
Molecular Weight 500.934 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_12197
Solvent DMSO-d6
Source Vendor ID: NMR/10271760; Lab Info: LP; Lab Number: LP-2501467