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

*Links on SpectraBase are not permalinks.
pyrido[2,3-d]pyrimidin-4(1H)-one, 7-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-2-mercapto-1-(3-methylphenyl)-5-(trifluoromethyl)-
SpectraBase Compound ID Bc84xQaOOuR
InChI InChI=1S/C21H18F3N5OS/c1-4-28-12(3)14(10-25-28)16-9-15(21(22,23)24)17-18(26-16)29(20(31)27-19(17)30)13-7-5-6-11(2)8-13/h5-10H,4H2,1-3H3,(H,27,30,31)
InChIKey RTICBRMPKPXBDW-UHFFFAOYSA-N
Mol Weight 445.46 g/mol
Molecular Formula C21H18F3N5OS
Exact Mass 445.118416 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 2hLb6NUk1r9
Name pyrido[2,3-d]pyrimidin-4(1H)-one, 7-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-2-mercapto-1-(3-methylphenyl)-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/C21H18F3N5OS/c1-4-28-12(3)14(10-25-28)16-9-15(21(22,23)24)17-18(26-16)29(20(31)27-19(17)30)13-7-5-6-11(2)8-13/h5-10H,4H2,1-3H3,(H,27,30,31)
InChIKey RTICBRMPKPXBDW-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_23528
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: 2283164; UZI_ID: UZI-023536
Temperature 308 °C