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N-{3-[(4-chlorophenyl)sulfanyl]-5-nitrophenyl}-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SpectraBase Compound ID AwnS7OISe9j
InChI InChI=1S/C26H16ClF2N5O3S/c27-16-6-8-19(9-7-16)38-20-11-17(10-18(12-20)34(36)37)31-26(35)21-14-30-33-23(24(28)29)13-22(32-25(21)33)15-4-2-1-3-5-15/h1-14,24H,(H,31,35)
InChIKey KDHBQWVRMXZCCM-UHFFFAOYSA-N
Mol Weight 551.96 g/mol
Molecular Formula C26H16ClF2N5O3S
Exact Mass 551.063045 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3fjdn8s2Hdm
Name N-{3-[(4-chlorophenyl)sulfanyl]-5-nitrophenyl}-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-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/C26H16ClF2N5O3S/c27-16-6-8-19(9-7-16)38-20-11-17(10-18(12-20)34(36)37)31-26(35)21-14-30-33-23(24(28)29)13-22(32-25(21)33)15-4-2-1-3-5-15/h1-14,24H,(H,31,35)
InChIKey KDHBQWVRMXZCCM-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3190
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: 9315664; UBI_ID: UBI-003191
Temperature 313 °C