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1-{4-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]benzoyl}-4-(ethylsulfonyl)piperazine
SpectraBase Compound ID CaNvadndZMw
InChI InChI=1S/C17H20ClN5O5S/c1-2-29(27,28)22-9-7-20(8-10-22)17(24)14-5-3-13(4-6-14)11-21-12-15(18)16(19-21)23(25)26/h3-6,12H,2,7-11H2,1H3
InChIKey AQDCMXURPFIADS-UHFFFAOYSA-N
Mol Weight 441.89 g/mol
Molecular Formula C17H20ClN5O5S
Exact Mass 441.087368 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3fYPsaeTTkj
Name 1-{4-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]benzoyl}-4-(ethylsulfonyl)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/C17H20ClN5O5S/c1-2-29(27,28)22-9-7-20(8-10-22)17(24)14-5-3-13(4-6-14)11-21-12-15(18)16(19-21)23(25)26/h3-6,12H,2,7-11H2,1H3
InChIKey AQDCMXURPFIADS-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_30112
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: 1669959; SBI_ID: SBI-030116
Temperature 308 °C