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pyrido[2,3-d]pyrimidin-4(1H)-one, 2-mercapto-7-(4-methylphenyl)-1-[(tetrahydro-2-furanyl)methyl]-5-(trifluoromethyl)-
SpectraBase Compound ID HB0kBRoJep5
InChI InChI=1S/C20H18F3N3O2S/c1-11-4-6-12(7-5-11)15-9-14(20(21,22)23)16-17(24-15)26(19(29)25-18(16)27)10-13-3-2-8-28-13/h4-7,9,13H,2-3,8,10H2,1H3,(H,25,27,29)
InChIKey VILHWDNLXBXATI-UHFFFAOYSA-N
Mol Weight 421.44 g/mol
Molecular Formula C20H18F3N3O2S
Exact Mass 421.107182 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2coTsK78NmT
Name pyrido[2,3-d]pyrimidin-4(1H)-one, 2-mercapto-7-(4-methylphenyl)-1-[(tetrahydro-2-furanyl)methyl]-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/C20H18F3N3O2S/c1-11-4-6-12(7-5-11)15-9-14(20(21,22)23)16-17(24-15)26(19(29)25-18(16)27)10-13-3-2-8-28-13/h4-7,9,13H,2-3,8,10H2,1H3,(H,25,27,29)
InChIKey VILHWDNLXBXATI-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_23353
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: 2278651; UZI_ID: UZI-023361
Temperature 308 °C