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4-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]sulfonyl}benzoic acid
SpectraBase Compound ID LAt7HoQt6dX
InChI InChI=1S/C18H17N3O5S/c1-12-16(17(22)21(20(12)2)14-6-4-3-5-7-14)19-27(25,26)15-10-8-13(9-11-15)18(23)24/h3-11,19H,1-2H3,(H,23,24)
InChIKey CBGBGFKYQBHAAV-UHFFFAOYSA-N
Mol Weight 387.41 g/mol
Molecular Formula C18H17N3O5S
Exact Mass 387.088892 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CZVWsfIjLMn
Name 4-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]sulfonyl}benzoic acid
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/C18H17N3O5S/c1-12-16(17(22)21(20(12)2)14-6-4-3-5-7-14)19-27(25,26)15-10-8-13(9-11-15)18(23)24/h3-11,19H,1-2H3,(H,23,24)
InChIKey CBGBGFKYQBHAAV-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_5996
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: 121916; Labnumber: EX00112408; VK_ID: VK-005999
Temperature 308 °C