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pyrido[2,3-d]pyrimidin-4(1H)-one, 7-(2,5-dimethoxyphenyl)-2-mercapto-1-methyl-5-(trifluoromethyl)-
SpectraBase Compound ID L16xhm6El0G
InChI InChI=1S/C17H14F3N3O3S/c1-23-14-13(15(24)22-16(23)27)10(17(18,19)20)7-11(21-14)9-6-8(25-2)4-5-12(9)26-3/h4-7H,1-3H3,(H,22,24,27)
InChIKey PNRWRERBXWSGNW-UHFFFAOYSA-N
Mol Weight 397.37 g/mol
Molecular Formula C17H14F3N3O3S
Exact Mass 397.070797 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ADTWBolDUbK
Name pyrido[2,3-d]pyrimidin-4(1H)-one, 7-(2,5-dimethoxyphenyl)-2-mercapto-1-methyl-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/C17H14F3N3O3S/c1-23-14-13(15(24)22-16(23)27)10(17(18,19)20)7-11(21-14)9-6-8(25-2)4-5-12(9)26-3/h4-7H,1-3H3,(H,22,24,27)
InChIKey PNRWRERBXWSGNW-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_21837
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: 2153691; UZI_ID: UZI-021845
Temperature 308 °C