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pyrido[2,3-d]pyrimidin-4(1H)-one, 5-(difluoromethyl)-2-mercapto-1-methyl-7-(4-methylphenyl)-
SpectraBase Compound ID JXBTEyhGFZc
InChI InChI=1S/C16H13F2N3OS/c1-8-3-5-9(6-4-8)11-7-10(13(17)18)12-14(19-11)21(2)16(23)20-15(12)22/h3-7,13H,1-2H3,(H,20,22,23)
InChIKey XKEKUMIKHCXVKJ-UHFFFAOYSA-N
Mol Weight 333.36 g/mol
Molecular Formula C16H13F2N3OS
Exact Mass 333.07474 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2QyC3nD3Xf1
Name pyrido[2,3-d]pyrimidin-4(1H)-one, 5-(difluoromethyl)-2-mercapto-1-methyl-7-(4-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/C16H13F2N3OS/c1-8-3-5-9(6-4-8)11-7-10(13(17)18)12-14(19-11)21(2)16(23)20-15(12)22/h3-7,13H,1-2H3,(H,20,22,23)
InChIKey XKEKUMIKHCXVKJ-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_23357
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: 2278660; UZI_ID: UZI-023365
Temperature 308 °C