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4-((E)-{2-[(1-methyl-4-nitro-1H-pyrazol-3-yl)carbonyl]hydrazono}methyl)phenyl 4-methylbenzenesulfonate
SpectraBase Compound ID KOE8uXemZqG
InChI InChI=1S/C19H17N5O6S/c1-13-3-9-16(10-4-13)31(28,29)30-15-7-5-14(6-8-15)11-20-21-19(25)18-17(24(26)27)12-23(2)22-18/h3-12H,1-2H3,(H,21,25)/b20-11+
InChIKey IRLDJTFWPVQBEK-RGVLZGJSSA-N
Mol Weight 443.43 g/mol
Molecular Formula C19H17N5O6S
Exact Mass 443.089954 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DFKvy7Bnk49
Name 4-((E)-{2-[(1-methyl-4-nitro-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/C19H17N5O6S/c1-13-3-9-16(10-4-13)31(28,29)30-15-7-5-14(6-8-15)11-20-21-19(25)18-17(24(26)27)12-23(2)22-18/h3-12H,1-2H3,(H,21,25)/b20-11+
InChIKey IRLDJTFWPVQBEK-RGVLZGJSSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_16839
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/8186326; UBI_ID: UBI-016842
Synonyms 4-({2-[(1-methyl-4-nitro-1H-pyrazol-3-yl)carbonyl]hydrazono}methyl)phenyl 4-methylbenzenesulfonate
Temperature 318 °C