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pyrido[2,3-d]pyrimidin-4(1H)-one, 5-(difluoromethyl)-2-mercapto-7-(2-methoxyphenyl)-1-(3-methylphenyl)-
SpectraBase Compound ID IlEa6Wv82SR
InChI InChI=1S/C22H17F2N3O2S/c1-12-6-5-7-13(10-12)27-20-18(21(28)26-22(27)30)15(19(23)24)11-16(25-20)14-8-3-4-9-17(14)29-2/h3-11,19H,1-2H3,(H,26,28,30)
InChIKey IYCHLBXAECYMJI-UHFFFAOYSA-N
Mol Weight 425.45 g/mol
Molecular Formula C22H17F2N3O2S
Exact Mass 425.100954 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID I7HrNeR9Nga
Name pyrido[2,3-d]pyrimidin-4(1H)-one, 5-(difluoromethyl)-2-mercapto-7-(2-methoxyphenyl)-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/C22H17F2N3O2S/c1-12-6-5-7-13(10-12)27-20-18(21(28)26-22(27)30)15(19(23)24)11-16(25-20)14-8-3-4-9-17(14)29-2/h3-11,19H,1-2H3,(H,26,28,30)
InChIKey IYCHLBXAECYMJI-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_23657
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: 2283631; UZI_ID: UZI-023665
Temperature 308 °C