For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
pyrido[2,3-d]pyrimidin-4(1H)-one, 5-(difluoromethyl)-7-(1-ethyl-1H-pyrazol-4-yl)-2-mercapto-1-(3-methylphenyl)-
SpectraBase Compound ID JELsKGfXzAT
InChI InChI=1S/C20H17F2N5OS/c1-3-26-10-12(9-23-26)15-8-14(17(21)22)16-18(24-15)27(20(29)25-19(16)28)13-6-4-5-11(2)7-13/h4-10,17H,3H2,1-2H3,(H,25,28,29)
InChIKey JECYRYMNEWHKQG-UHFFFAOYSA-N
Mol Weight 413.45 g/mol
Molecular Formula C20H17F2N5OS
Exact Mass 413.112188 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 3ZfEbIHMpH1
Name pyrido[2,3-d]pyrimidin-4(1H)-one, 5-(difluoromethyl)-7-(1-ethyl-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/C20H17F2N5OS/c1-3-26-10-12(9-23-26)15-8-14(17(21)22)16-18(24-15)27(20(29)25-19(16)28)13-6-4-5-11(2)7-13/h4-10,17H,3H2,1-2H3,(H,25,28,29)
InChIKey JECYRYMNEWHKQG-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_23650
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: 2283605; UZI_ID: UZI-023658
Temperature 308 °C