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pyrido[2,3-d]pyrimidin-4(1H)-one, 5-(difluoromethyl)-1-(2-ethoxyphenyl)-7-(4-fluorophenyl)-2-mercapto-
SpectraBase Compound ID 7gmDzfLy8TZ
InChI InChI=1S/C22H16F3N3O2S/c1-2-30-17-6-4-3-5-16(17)28-20-18(21(29)27-22(28)31)14(19(24)25)11-15(26-20)12-7-9-13(23)10-8-12/h3-11,19H,2H2,1H3,(H,27,29,31)
InChIKey VXVSXJPIGNCOCA-UHFFFAOYSA-N
Mol Weight 443.44 g/mol
Molecular Formula C22H16F3N3O2S
Exact Mass 443.091532 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID E93SFIvR4oV
Name pyrido[2,3-d]pyrimidin-4(1H)-one, 5-(difluoromethyl)-1-(2-ethoxyphenyl)-7-(4-fluorophenyl)-2-mercapto-
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/C22H16F3N3O2S/c1-2-30-17-6-4-3-5-16(17)28-20-18(21(29)27-22(28)31)14(19(24)25)11-15(26-20)12-7-9-13(23)10-8-12/h3-11,19H,2H2,1H3,(H,27,29,31)
InChIKey VXVSXJPIGNCOCA-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_23348
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: 2278629; UZI_ID: UZI-023356
Temperature 308 °C