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pyrido[2,3-d]pyrimidin-4(1H)-one, 7-[3-(difluoromethoxy)phenyl]-2-mercapto-1-(2-methoxyphenyl)-5-(trifluoromethyl)-
SpectraBase Compound ID JD1eXd2DWMG
InChI InChI=1S/C22H14F5N3O3S/c1-32-16-8-3-2-7-15(16)30-18-17(19(31)29-21(30)34)13(22(25,26)27)10-14(28-18)11-5-4-6-12(9-11)33-20(23)24/h2-10,20H,1H3,(H,29,31,34)
InChIKey BCIAXYZJTMNABM-UHFFFAOYSA-N
Mol Weight 495.42 g/mol
Molecular Formula C22H14F5N3O3S
Exact Mass 495.067603 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KkA6JKuofTl
Name pyrido[2,3-d]pyrimidin-4(1H)-one, 7-[3-(difluoromethoxy)phenyl]-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/C22H14F5N3O3S/c1-32-16-8-3-2-7-15(16)30-18-17(19(31)29-21(30)34)13(22(25,26)27)10-14(28-18)11-5-4-6-12(9-11)33-20(23)24/h2-10,20H,1H3,(H,29,31,34)
InChIKey BCIAXYZJTMNABM-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_23302
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: 2278430; UZI_ID: UZI-023310
Temperature 308 °C