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N-{3-[(4-chlorophenyl)sulfanyl]-5-nitrophenyl}-7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SpectraBase Compound ID JdYEPmab3GG
InChI InChI=1S/C27H18ClF2N5O3S/c1-15-2-4-16(5-3-15)23-13-24(25(29)30)34-26(33-23)22(14-31-34)27(36)32-18-10-19(35(37)38)12-21(11-18)39-20-8-6-17(28)7-9-20/h2-14,25H,1H3,(H,32,36)
InChIKey GTSFJEZNMQYVAS-UHFFFAOYSA-N
Mol Weight 565.98 g/mol
Molecular Formula C27H18ClF2N5O3S
Exact Mass 565.078695 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DW8zXt2Qp11
Name N-{3-[(4-chlorophenyl)sulfanyl]-5-nitrophenyl}-7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[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/C27H18ClF2N5O3S/c1-15-2-4-16(5-3-15)23-13-24(25(29)30)34-26(33-23)22(14-31-34)27(36)32-18-10-19(35(37)38)12-21(11-18)39-20-8-6-17(28)7-9-20/h2-14,25H,1H3,(H,32,36)
InChIKey GTSFJEZNMQYVAS-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3914
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: 9317777; UBI_ID: UBI-003915
Temperature 308 °C