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pyrido[2,3-d]pyrimidin-4(1H)-one, 7-(1-ethyl-1H-pyrazol-4-yl)-2-mercapto-1-[(tetrahydro-2-furanyl)methyl]-5-(trifluoromethyl)-
SpectraBase Compound ID 7qfmgCQyTnY
InChI InChI=1S/C18H18F3N5O2S/c1-2-25-8-10(7-22-25)13-6-12(18(19,20)21)14-15(23-13)26(17(29)24-16(14)27)9-11-4-3-5-28-11/h6-8,11H,2-5,9H2,1H3,(H,24,27,29)
InChIKey LFQFAYNSRZJLKO-UHFFFAOYSA-N
Mol Weight 425.43 g/mol
Molecular Formula C18H18F3N5O2S
Exact Mass 425.113331 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7Hjp1yRtLmY
Name pyrido[2,3-d]pyrimidin-4(1H)-one, 7-(1-ethyl-1H-pyrazol-4-yl)-2-mercapto-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/C18H18F3N5O2S/c1-2-25-8-10(7-22-25)13-6-12(18(19,20)21)14-15(23-13)26(17(29)24-16(14)27)9-11-4-3-5-28-11/h6-8,11H,2-5,9H2,1H3,(H,24,27,29)
InChIKey LFQFAYNSRZJLKO-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_23308
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: 2278449; UZI_ID: UZI-023316
Temperature 308 °C