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pyrido[2,3-d]pyrimidin-4(1H)-one, 1-cyclopentyl-7-[4-(difluoromethoxy)-3-methoxyphenyl]-2-mercapto-5-(trifluoromethyl)-
SpectraBase Compound ID 7W8UkgCxXlh
InChI InChI=1S/C21H18F5N3O3S/c1-31-15-8-10(6-7-14(15)32-19(22)23)13-9-12(21(24,25)26)16-17(27-13)29(11-4-2-3-5-11)20(33)28-18(16)30/h6-9,11,19H,2-5H2,1H3,(H,28,30,33)
InChIKey MIEOSULLGYJKON-UHFFFAOYSA-N
Mol Weight 487.45 g/mol
Molecular Formula C21H18F5N3O3S
Exact Mass 487.098903 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Jqfh4YQJpgd
Name pyrido[2,3-d]pyrimidin-4(1H)-one, 1-cyclopentyl-7-[4-(difluoromethoxy)-3-methoxyphenyl]-2-mercapto-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/C21H18F5N3O3S/c1-31-15-8-10(6-7-14(15)32-19(22)23)13-9-12(21(24,25)26)16-17(27-13)29(11-4-2-3-5-11)20(33)28-18(16)30/h6-9,11,19H,2-5H2,1H3,(H,28,30,33)
InChIKey MIEOSULLGYJKON-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_23488
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: 2279231; UZI_ID: UZI-023496
Temperature 308 °C