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pyrido[2,3-d]pyrimidin-4(1H)-one, 1-butyl-2-mercapto-7-(2-thienyl)-5-(trifluoromethyl)-
SpectraBase Compound ID DGqdg8aZF3g
InChI InChI=1S/C16H14F3N3OS2/c1-2-3-6-22-13-12(14(23)21-15(22)24)9(16(17,18)19)8-10(20-13)11-5-4-7-25-11/h4-5,7-8H,2-3,6H2,1H3,(H,21,23,24)
InChIKey PQQJMUWUSYSPBY-UHFFFAOYSA-N
Mol Weight 385.42 g/mol
Molecular Formula C16H14F3N3OS2
Exact Mass 385.053039 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID D2hAF4j4UDQ
Name pyrido[2,3-d]pyrimidin-4(1H)-one, 1-butyl-2-mercapto-7-(2-thienyl)-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/C16H14F3N3OS2/c1-2-3-6-22-13-12(14(23)21-15(22)24)9(16(17,18)19)8-10(20-13)11-5-4-7-25-11/h4-5,7-8H,2-3,6H2,1H3,(H,21,23,24)
InChIKey PQQJMUWUSYSPBY-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_21872
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: 2170681; UZI_ID: UZI-021880
Temperature 308 °C