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pyrido[2,3-d]pyrimidin-4(1H)-one, 2-mercapto-7-(1-methyl-1H-pyrazol-4-yl)-1-[(tetrahydro-2-furanyl)methyl]-5-(trifluoromethyl)-

View entire compound with spectra: 1 NMR

pyrido[2,3-d]pyrimidin-4(1H)-one, 2-mercapto-7-(1-methyl-1H-pyrazol-4-yl)-1-[(tetrahydro-2-furanyl)methyl]-5-(trifluoromethyl)-
SpectraBase Compound ID 5kzfiKrxywu
InChI InChI=1S/C17H16F3N5O2S/c1-24-7-9(6-21-24)12-5-11(17(18,19)20)13-14(22-12)25(16(28)23-15(13)26)8-10-3-2-4-27-10/h5-7,10H,2-4,8H2,1H3,(H,23,26,28)
InChIKey ADGJMFQDQXBBDL-UHFFFAOYSA-N
Mol Weight 411.4 g/mol
Molecular Formula C17H16F3N5O2S
Exact Mass 411.09768 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4APBJNLBS9p
Name pyrido[2,3-d]pyrimidin-4(1H)-one, 2-mercapto-7-(1-methyl-1H-pyrazol-4-yl)-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/C17H16F3N5O2S/c1-24-7-9(6-21-24)12-5-11(17(18,19)20)13-14(22-12)25(16(28)23-15(13)26)8-10-3-2-4-27-10/h5-7,10H,2-4,8H2,1H3,(H,23,26,28)
InChIKey ADGJMFQDQXBBDL-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_21689
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: 2279166; UZI_ID: UZI-021697
Temperature 308 °C