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pyrido[2,3-d]pyrimidine-5-carboxylic acid, 7-[3-(difluoromethoxy)phenyl]-1,4-dihydro-2-mercapto-1-(3-methylphenyl)-4-oxo-

View entire compound with spectra: 1 NMR

pyrido[2,3-d]pyrimidine-5-carboxylic acid, 7-[3-(difluoromethoxy)phenyl]-1,4-dihydro-2-mercapto-1-(3-methylphenyl)-4-oxo-
SpectraBase Compound ID EmZVDxLtgJA
InChI InChI=1S/C22H15F2N3O4S/c1-11-4-2-6-13(8-11)27-18-17(19(28)26-22(27)32)15(20(29)30)10-16(25-18)12-5-3-7-14(9-12)31-21(23)24/h2-10,21H,1H3,(H,29,30)(H,26,28,32)
InChIKey KKZVRXCSTZFMRZ-UHFFFAOYSA-N
Mol Weight 455.44 g/mol
Molecular Formula C22H15F2N3O4S
Exact Mass 455.075133 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BzI63UUoVHX
Name pyrido[2,3-d]pyrimidine-5-carboxylic acid, 7-[3-(difluoromethoxy)phenyl]-1,4-dihydro-2-mercapto-1-(3-methylphenyl)-4-oxo-
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/C22H15F2N3O4S/c1-11-4-2-6-13(8-11)27-18-17(19(28)26-22(27)32)15(20(29)30)10-16(25-18)12-5-3-7-14(9-12)31-21(23)24/h2-10,21H,1H3,(H,29,30)(H,26,28,32)
InChIKey KKZVRXCSTZFMRZ-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_23523
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: 2283145; UZI_ID: UZI-023531
Temperature 308 °C