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pyrido[2,3-d]pyrimidin-4(1H)-one, 1-cyclopropyl-7-[4-(difluoromethoxy)-3-methoxyphenyl]-2-mercapto-5-(trifluoromethyl)-
SpectraBase Compound ID HqiGAj1JmFM
InChI InChI=1S/C19H14F5N3O3S/c1-29-13-6-8(2-5-12(13)30-17(20)21)11-7-10(19(22,23)24)14-15(25-11)27(9-3-4-9)18(31)26-16(14)28/h2,5-7,9,17H,3-4H2,1H3,(H,26,28,31)
InChIKey KEBHHFPJFXUAPR-UHFFFAOYSA-N
Mol Weight 459.39 g/mol
Molecular Formula C19H14F5N3O3S
Exact Mass 459.067603 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Idqii2R7ZtZ
Name pyrido[2,3-d]pyrimidin-4(1H)-one, 1-cyclopropyl-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/C19H14F5N3O3S/c1-29-13-6-8(2-5-12(13)30-17(20)21)11-7-10(19(22,23)24)14-15(25-11)27(9-3-4-9)18(31)26-16(14)28/h2,5-7,9,17H,3-4H2,1H3,(H,26,28,31)
InChIKey KEBHHFPJFXUAPR-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_21817
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: 2145511; UZI_ID: UZI-021825
Temperature 308 °C