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1-{3-[(4-chloro-1H-pyrazol-1-yl)methoxy]benzoyl}-4-(phenylsulfonyl)piperazine
SpectraBase Compound ID EzEOltESVx1
InChI InChI=1S/C21H21ClN4O4S/c22-18-14-23-25(15-18)16-30-19-6-4-5-17(13-19)21(27)24-9-11-26(12-10-24)31(28,29)20-7-2-1-3-8-20/h1-8,13-15H,9-12,16H2
InChIKey XORRHXLWCSREKC-UHFFFAOYSA-N
Mol Weight 460.94 g/mol
Molecular Formula C21H21ClN4O4S
Exact Mass 460.097204 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID F1skjUxPp4w
Name 1-{3-[(4-chloro-1H-pyrazol-1-yl)methoxy]benzoyl}-4-(phenylsulfonyl)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/C21H21ClN4O4S/c22-18-14-23-25(15-18)16-30-19-6-4-5-17(13-19)21(27)24-9-11-26(12-10-24)31(28,29)20-7-2-1-3-8-20/h1-8,13-15H,9-12,16H2
InChIKey XORRHXLWCSREKC-UHFFFAOYSA-N
NMR Offset 17.9118
NMR Spectrometer Frequency 500.077
Observed nucleus 1H
Origin 1H_SBI_36227_33717
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: 1996410; SBI_ID: SBI-033721
Synonyms (4-chloro-1H-pyrazol-1-yl)methyl 3-{[4-(phenylsulfonyl)-1-piperazinyl]carbonyl}phenyl ether
Temperature 303 °C