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3-(4-chlorophenyl)-5-(3-nitrophenyl)-1-(phenylsulfonyl)-4,5-dihydro-1H-pyrazole
SpectraBase Compound ID 6WAwoWfAYCw
InChI InChI=1S/C21H16ClN3O4S/c22-17-11-9-15(10-12-17)20-14-21(16-5-4-6-18(13-16)25(26)27)24(23-20)30(28,29)19-7-2-1-3-8-19/h1-13,21H,14H2
InChIKey MVJGQZQVDYQQHP-UHFFFAOYSA-N
Mol Weight 441.89 g/mol
Molecular Formula C21H16ClN3O4S
Exact Mass 441.055005 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2tjyl1Y5HqM
Name 3-(4-chlorophenyl)-5-(3-nitrophenyl)-1-(phenylsulfonyl)-4,5-dihydro-1H-pyrazole
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/C21H16ClN3O4S/c22-17-11-9-15(10-12-17)20-14-21(16-5-4-6-18(13-16)25(26)27)24(23-20)30(28,29)19-7-2-1-3-8-19/h1-13,21H,14H2
InChIKey MVJGQZQVDYQQHP-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_6467
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: 123676; Labnumber: EX00124919; VK_ID: VK-006470
Temperature 315 °C