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3-({4-[(4-chlorophenyl)sulfonyl]-1-piperazinyl}carbonyl)phenyl (4-chloro-1H-pyrazol-1-yl)methyl ether
SpectraBase Compound ID 4yTzMyroTsL
InChI InChI=1S/C21H20Cl2N4O4S/c22-17-4-6-20(7-5-17)32(29,30)27-10-8-25(9-11-27)21(28)16-2-1-3-19(12-16)31-15-26-14-18(23)13-24-26/h1-7,12-14H,8-11,15H2
InChIKey LITSJUNHXPPVSY-UHFFFAOYSA-N
Mol Weight 495.38 g/mol
Molecular Formula C21H20Cl2N4O4S
Exact Mass 494.058232 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID J6S8HouyxEX
Name 3-({4-[(4-chlorophenyl)sulfonyl]-1-piperazinyl}carbonyl)phenyl (4-chloro-1H-pyrazol-1-yl)methyl ether
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/C21H20Cl2N4O4S/c22-17-4-6-20(7-5-17)32(29,30)27-10-8-25(9-11-27)21(28)16-2-1-3-19(12-16)31-15-26-14-18(23)13-24-26/h1-7,12-14H,8-11,15H2
InChIKey LITSJUNHXPPVSY-UHFFFAOYSA-N
NMR Offset 17.9122
NMR Spectrometer Frequency 500.077
Observed nucleus 1H
Origin 1H_SBI_36227_33608
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: 1996190; SBI_ID: SBI-033612
Synonyms 1-[(4-chlorophenyl)sulfonyl]-4-{3-[(4-chloro-1H-pyrazol-1-yl)methoxy]benzoyl}piperazine
Temperature 303 °C