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pyrido[2,3-d]pyrimidin-4(1H)-one, 5-(difluoromethyl)-7-(1,5-dimethyl-1H-pyrazol-4-yl)-2-mercapto-1-(3-methylphenyl)-
SpectraBase Compound ID 1XXmu6JkcWI
InChI InChI=1S/C20H17F2N5OS/c1-10-5-4-6-12(7-10)27-18-16(19(28)25-20(27)29)13(17(21)22)8-15(24-18)14-9-23-26(3)11(14)2/h4-9,17H,1-3H3,(H,25,28,29)
InChIKey YNQKEEIUONDHGQ-UHFFFAOYSA-N
Mol Weight 413.45 g/mol
Molecular Formula C20H17F2N5OS
Exact Mass 413.112188 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DQERYuzPMm9
Name pyrido[2,3-d]pyrimidin-4(1H)-one, 5-(difluoromethyl)-7-(1,5-dimethyl-1H-pyrazol-4-yl)-2-mercapto-1-(3-methylphenyl)-
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/C20H17F2N5OS/c1-10-5-4-6-12(7-10)27-18-16(19(28)25-20(27)29)13(17(21)22)8-15(24-18)14-9-23-26(3)11(14)2/h4-9,17H,1-3H3,(H,25,28,29)
InChIKey YNQKEEIUONDHGQ-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_23699
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: 2283782; UZI_ID: UZI-023707
Temperature 308 °C