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pyrido[2,3-d]pyrimidin-4(1H)-one, 2-mercapto-7-(4-methoxyphenyl)-1-(3-methoxypropyl)-5-(trifluoromethyl)-
SpectraBase Compound ID 9C87yO55shC
InChI InChI=1S/C19H18F3N3O3S/c1-27-9-3-8-25-16-15(17(26)24-18(25)29)13(19(20,21)22)10-14(23-16)11-4-6-12(28-2)7-5-11/h4-7,10H,3,8-9H2,1-2H3,(H,24,26,29)
InChIKey MBMREQDVOQFINC-UHFFFAOYSA-N
Mol Weight 425.43 g/mol
Molecular Formula C19H18F3N3O3S
Exact Mass 425.102097 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GHU1GvBoimg
Name pyrido[2,3-d]pyrimidin-4(1H)-one, 2-mercapto-7-(4-methoxyphenyl)-1-(3-methoxypropyl)-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/C19H18F3N3O3S/c1-27-9-3-8-25-16-15(17(26)24-18(25)29)13(19(20,21)22)10-14(23-16)11-4-6-12(28-2)7-5-11/h4-7,10H,3,8-9H2,1-2H3,(H,24,26,29)
InChIKey MBMREQDVOQFINC-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_21856
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: 2160535; UZI_ID: UZI-021864
Temperature 308 °C