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pyrido[2,3-d]pyrimidin-4(1H)-one, 7-[3-(difluoromethoxy)phenyl]-2-mercapto-1-(1-methylethyl)-5-(trifluoromethyl)-
SpectraBase Compound ID 3ZrrQJ6Rt7r
InChI InChI=1S/C18H14F5N3O2S/c1-8(2)26-14-13(15(27)25-17(26)29)11(18(21,22)23)7-12(24-14)9-4-3-5-10(6-9)28-16(19)20/h3-8,16H,1-2H3,(H,25,27,29)
InChIKey JTGWHPGSRDVPBS-UHFFFAOYSA-N
Mol Weight 431.38 g/mol
Molecular Formula C18H14F5N3O2S
Exact Mass 431.072689 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 86Mh2lqfmFA
Name pyrido[2,3-d]pyrimidin-4(1H)-one, 7-[3-(difluoromethoxy)phenyl]-2-mercapto-1-(1-methylethyl)-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/C18H14F5N3O2S/c1-8(2)26-14-13(15(27)25-17(26)29)11(18(21,22)23)7-12(24-14)9-4-3-5-10(6-9)28-16(19)20/h3-8,16H,1-2H3,(H,25,27,29)
InChIKey JTGWHPGSRDVPBS-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_26100
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: 2278433; UZI_ID: UZI-026110
Temperature 308 °C