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pyrido[2,3-d]pyrimidin-4(1H)-one, 7-(3,4-dichlorophenyl)-2-mercapto-1-(2-methoxyphenyl)-5-(trifluoromethyl)-
SpectraBase Compound ID LLdfKrrdf3n
InChI InChI=1S/C21H12Cl2F3N3O2S/c1-31-16-5-3-2-4-15(16)29-18-17(19(30)28-20(29)32)11(21(24,25)26)9-14(27-18)10-6-7-12(22)13(23)8-10/h2-9H,1H3,(H,28,30,32)
InChIKey AGWZHXWXJLSOMM-UHFFFAOYSA-N
Mol Weight 498.31 g/mol
Molecular Formula C21H12Cl2F3N3O2S
Exact Mass 496.997938 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID J03MSR7R1O
Name pyrido[2,3-d]pyrimidin-4(1H)-one, 7-(3,4-dichlorophenyl)-2-mercapto-1-(2-methoxyphenyl)-5-(trifluoromethyl)-
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/C21H12Cl2F3N3O2S/c1-31-16-5-3-2-4-15(16)29-18-17(19(30)28-20(29)32)11(21(24,25)26)9-14(27-18)10-6-7-12(22)13(23)8-10/h2-9H,1H3,(H,28,30,32)
InChIKey AGWZHXWXJLSOMM-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_23439
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: 2279003; UZI_ID: UZI-023447
Temperature 308 °C