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1-(difluoromethyl)-N-[5-(ethylsulfonyl)-2-hydroxyphenyl]-1H-pyrazole-5-carboxamide
SpectraBase Compound ID FruyRat5q2k
InChI InChI=1S/C13H13F2N3O4S/c1-2-23(21,22)8-3-4-11(19)9(7-8)17-12(20)10-5-6-16-18(10)13(14)15/h3-7,13,19H,2H2,1H3,(H,17,20)
InChIKey MNMXACLPUGOPLW-UHFFFAOYSA-N
Mol Weight 345.32 g/mol
Molecular Formula C13H13F2N3O4S
Exact Mass 345.059483 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID A3bylNcw9dF
Name 1-(difluoromethyl)-N-[5-(ethylsulfonyl)-2-hydroxyphenyl]-1H-pyrazole-5-carboxamide
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/C13H13F2N3O4S/c1-2-23(21,22)8-3-4-11(19)9(7-8)17-12(20)10-5-6-16-18(10)13(14)15/h3-7,13,19H,2H2,1H3,(H,17,20)
InChIKey MNMXACLPUGOPLW-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_29998
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: 1509397; SBI_ID: SBI-030002
Temperature 306 °C