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pyrido[2,3-d]pyrimidin-4(1H)-one, 7-[4-(difluoromethoxy)phenyl]-2-mercapto-1-methyl-5-(trifluoromethyl)-
SpectraBase Compound ID HMLUNlcsmgH
InChI InChI=1S/C16H10F5N3O2S/c1-24-12-11(13(25)23-15(24)27)9(16(19,20)21)6-10(22-12)7-2-4-8(5-3-7)26-14(17)18/h2-6,14H,1H3,(H,23,25,27)
InChIKey IELSQUWLUQJLOE-UHFFFAOYSA-N
Mol Weight 403.33 g/mol
Molecular Formula C16H10F5N3O2S
Exact Mass 403.041389 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3mSvBae4g16
Name pyrido[2,3-d]pyrimidin-4(1H)-one, 7-[4-(difluoromethoxy)phenyl]-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/C16H10F5N3O2S/c1-24-12-11(13(25)23-15(24)27)9(16(19,20)21)6-10(22-12)7-2-4-8(5-3-7)26-14(17)18/h2-6,14H,1H3,(H,23,25,27)
InChIKey IELSQUWLUQJLOE-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_21822
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: 2147414; UZI_ID: UZI-021830
Temperature 308 °C