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1-butyl-7-methyl-2-sulfanyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4(1H)-one
SpectraBase Compound ID C1Vsq1DGBEb
InChI InChI=1S/C13H14F3N3OS/c1-3-4-5-19-10-9(11(20)18-12(19)21)8(13(14,15)16)6-7(2)17-10/h6H,3-5H2,1-2H3,(H,18,20,21)
InChIKey OIPVCRWPSICZEL-UHFFFAOYSA-N
Mol Weight 317.33 g/mol
Molecular Formula C13H14F3N3OS
Exact Mass 317.080968 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2ksaTIJD0Kl
Name 1-butyl-7-methyl-2-sulfanyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4(1H)-one
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/C13H14F3N3OS/c1-3-4-5-19-10-9(11(20)18-12(19)21)8(13(14,15)16)6-7(2)17-10/h6H,3-5H2,1-2H3,(H,18,20,21)
InChIKey OIPVCRWPSICZEL-UHFFFAOYSA-N
NMR Offset 15.3209
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_34174
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: 2154534; SBI_ID: SBI-034178
Temperature 297 °C