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pyrido[2,3-d]pyrimidin-4(1H)-one, 7-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-mercapto-1-(3-methoxypropyl)-5-(trifluoromethyl)-

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pyrido[2,3-d]pyrimidin-4(1H)-one, 7-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-mercapto-1-(3-methoxypropyl)-5-(trifluoromethyl)-
SpectraBase Compound ID K7Jjuw16zb5
InChI InChI=1S/C20H18F3N3O4S/c1-28-6-2-5-26-17-16(18(27)25-19(26)31)12(20(21,22)23)10-13(24-17)11-3-4-14-15(9-11)30-8-7-29-14/h3-4,9-10H,2,5-8H2,1H3,(H,25,27,31)
InChIKey CQSPLHZTXMMEOD-UHFFFAOYSA-N
Mol Weight 453.44 g/mol
Molecular Formula C20H18F3N3O4S
Exact Mass 453.097012 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ijiiol6Qe58
Name pyrido[2,3-d]pyrimidin-4(1H)-one, 7-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-mercapto-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/C20H18F3N3O4S/c1-28-6-2-5-26-17-16(18(27)25-19(26)31)12(20(21,22)23)10-13(24-17)11-3-4-14-15(9-11)30-8-7-29-14/h3-4,9-10H,2,5-8H2,1H3,(H,25,27,31)
InChIKey CQSPLHZTXMMEOD-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_21846
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: 2158080; UZI_ID: UZI-021854
Temperature 308 °C