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4-((E)-{2-[(4-chloro-1-methyl-1H-pyrazol-3-yl)carbonyl]hydrazono}methyl)phenyl 4-methylbenzenesulfonate
SpectraBase Compound ID CIe226dWEX2
InChI InChI=1S/C19H17ClN4O4S/c1-13-3-9-16(10-4-13)29(26,27)28-15-7-5-14(6-8-15)11-21-22-19(25)18-17(20)12-24(2)23-18/h3-12H,1-2H3,(H,22,25)/b21-11+
InChIKey BFRAZHCGQQQFSF-SRZZPIQSSA-N
Mol Weight 432.88 g/mol
Molecular Formula C19H17ClN4O4S
Exact Mass 432.065904 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5qklQsNb2C7
Name 4-((E)-{2-[(4-chloro-1-methyl-1H-pyrazol-3-yl)carbonyl]hydrazono}methyl)phenyl 4-methylbenzenesulfonate
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/C19H17ClN4O4S/c1-13-3-9-16(10-4-13)29(26,27)28-15-7-5-14(6-8-15)11-21-22-19(25)18-17(20)12-24(2)23-18/h3-12H,1-2H3,(H,22,25)/b21-11+
InChIKey BFRAZHCGQQQFSF-SRZZPIQSSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_16865
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: UZI/8188592; UBI_ID: UBI-016868
Synonyms 4-({2-[(4-chloro-1-methyl-1H-pyrazol-3-yl)carbonyl]hydrazono}methyl)phenyl 4-methylbenzenesulfonate
Temperature 313 °C