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pyrido[2,3-d]pyrimidin-4(1H)-one, 7-[3-(difluoromethoxy)phenyl]-2-mercapto-1-(2-methoxyethyl)-5-(trifluoromethyl)-
SpectraBase Compound ID 49GryaY6E2V
InChI InChI=1S/C18H14F5N3O3S/c1-28-6-5-26-14-13(15(27)25-17(26)30)11(18(21,22)23)8-12(24-14)9-3-2-4-10(7-9)29-16(19)20/h2-4,7-8,16H,5-6H2,1H3,(H,25,27,30)
InChIKey VXZYQJSPEFYZAQ-UHFFFAOYSA-N
Mol Weight 447.38 g/mol
Molecular Formula C18H14F5N3O3S
Exact Mass 447.067603 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FxjKgiKa3Gu
Name pyrido[2,3-d]pyrimidin-4(1H)-one, 7-[3-(difluoromethoxy)phenyl]-2-mercapto-1-(2-methoxyethyl)-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/C18H14F5N3O3S/c1-28-6-5-26-14-13(15(27)25-17(26)30)11(18(21,22)23)8-12(24-14)9-3-2-4-10(7-9)29-16(19)20/h2-4,7-8,16H,5-6H2,1H3,(H,25,27,30)
InChIKey VXZYQJSPEFYZAQ-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_23632
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: 2283544; UZI_ID: UZI-023640
Temperature 308 °C