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pyrido[2,3-d]pyrimidin-4(1H)-one, 2-mercapto-1-(3-methoxypropyl)-7-(1-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)-
SpectraBase Compound ID 8EIfrUBIA68
InChI InChI=1S/C16H16F3N5O2S/c1-23-6-4-10(22-23)11-8-9(16(17,18)19)12-13(20-11)24(5-3-7-26-2)15(27)21-14(12)25/h4,6,8H,3,5,7H2,1-2H3,(H,21,25,27)
InChIKey NVYPFWCFPGVQNB-UHFFFAOYSA-N
Mol Weight 399.39 g/mol
Molecular Formula C16H16F3N5O2S
Exact Mass 399.09768 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IQIcLmHOEkn
Name pyrido[2,3-d]pyrimidin-4(1H)-one, 2-mercapto-1-(3-methoxypropyl)-7-(1-methyl-1H-pyrazol-3-yl)-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/C16H16F3N5O2S/c1-23-6-4-10(22-23)11-8-9(16(17,18)19)12-13(20-11)24(5-3-7-26-2)15(27)21-14(12)25/h4,6,8H,3,5,7H2,1-2H3,(H,21,25,27)
InChIKey NVYPFWCFPGVQNB-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_23686
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: 2283734; UZI_ID: UZI-023694
Temperature 308 °C