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1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]-4-(2-iodobenzoyl)piperazine

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1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]-4-(2-iodobenzoyl)piperazine
SpectraBase Compound ID EBUT2M6fRNI
InChI InChI=1S/C22H22IN5O3/c1-15-13-16(2)27(24-15)21-14-17(7-8-20(21)28(30)31)25-9-11-26(12-10-25)22(29)18-5-3-4-6-19(18)23/h3-8,13-14H,9-12H2,1-2H3
InChIKey AYSLOJHTUYITPR-UHFFFAOYSA-N
Mol Weight 531.35 g/mol
Molecular Formula C22H22IN5O3
Exact Mass 531.076735 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Juyy9yEULIZ
Name 1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]-4-(2-iodobenzoyl)piperazine
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/C22H22IN5O3/c1-15-13-16(2)27(24-15)21-14-17(7-8-20(21)28(30)31)25-9-11-26(12-10-25)22(29)18-5-3-4-6-19(18)23/h3-8,13-14H,9-12H2,1-2H3
InChIKey AYSLOJHTUYITPR-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_6264
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: NMR/11242654; Labnumber: LP-2501908; IOH_ID: IOH-006265