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pyrido[2,3-d]pyrimidin-4(1H)-one, 5-(difluoromethyl)-7-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-2-mercapto-1-(3-methylphenyl)-
SpectraBase Compound ID IhXALVbqMH0
InChI InChI=1S/C21H19F2N5OS/c1-4-27-12(3)15(10-24-27)16-9-14(18(22)23)17-19(25-16)28(21(30)26-20(17)29)13-7-5-6-11(2)8-13/h5-10,18H,4H2,1-3H3,(H,26,29,30)
InChIKey FOPKCHGXHYWSSL-UHFFFAOYSA-N
Mol Weight 427.47 g/mol
Molecular Formula C21H19F2N5OS
Exact Mass 427.127838 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KEzHQt8xqWW
Name pyrido[2,3-d]pyrimidin-4(1H)-one, 5-(difluoromethyl)-7-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-2-mercapto-1-(3-methylphenyl)-
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/C21H19F2N5OS/c1-4-27-12(3)15(10-24-27)16-9-14(18(22)23)17-19(25-16)28(21(30)26-20(17)29)13-7-5-6-11(2)8-13/h5-10,18H,4H2,1-3H3,(H,26,29,30)
InChIKey FOPKCHGXHYWSSL-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_23726
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: 2283874; UZI_ID: UZI-023734
Temperature 308 °C