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pyrido[2,3-d]pyrimidin-4(1H)-one, 7-(4-fluorophenyl)-2-mercapto-1-(2-methoxyethyl)-5-(trifluoromethyl)-
SpectraBase Compound ID 4PJagTmwLz1
InChI InChI=1S/C17H13F4N3O2S/c1-26-7-6-24-14-13(15(25)23-16(24)27)11(17(19,20)21)8-12(22-14)9-2-4-10(18)5-3-9/h2-5,8H,6-7H2,1H3,(H,23,25,27)
InChIKey XTLWDEJYJCSSFD-UHFFFAOYSA-N
Mol Weight 399.36 g/mol
Molecular Formula C17H13F4N3O2S
Exact Mass 399.06646 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CvNYOXphBZT
Name pyrido[2,3-d]pyrimidin-4(1H)-one, 7-(4-fluorophenyl)-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/C17H13F4N3O2S/c1-26-7-6-24-14-13(15(25)23-16(24)27)11(17(19,20)21)8-12(22-14)9-2-4-10(18)5-3-9/h2-5,8H,6-7H2,1H3,(H,23,25,27)
InChIKey XTLWDEJYJCSSFD-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_23612
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: 2283477; UZI_ID: UZI-023620
Temperature 308 °C