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pyrido[2,3-d]pyrimidin-4(1H)-one, 7-[3-(difluoromethoxy)phenyl]-2-mercapto-1-(3-methoxypropyl)-5-(trifluoromethyl)-
SpectraBase Compound ID KZJITyZVgtL
InChI InChI=1S/C19H16F5N3O3S/c1-29-7-3-6-27-15-14(16(28)26-18(27)31)12(19(22,23)24)9-13(25-15)10-4-2-5-11(8-10)30-17(20)21/h2,4-5,8-9,17H,3,6-7H2,1H3,(H,26,28,31)
InChIKey HRCLDFUBEAMEFN-UHFFFAOYSA-N
Mol Weight 461.41 g/mol
Molecular Formula C19H16F5N3O3S
Exact Mass 461.083253 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2OXMOVqo744
Name pyrido[2,3-d]pyrimidin-4(1H)-one, 7-[3-(difluoromethoxy)phenyl]-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/C19H16F5N3O3S/c1-29-7-3-6-27-15-14(16(28)26-18(27)31)12(19(22,23)24)9-13(25-15)10-4-2-5-11(8-10)30-17(20)21/h2,4-5,8-9,17H,3,6-7H2,1H3,(H,26,28,31)
InChIKey HRCLDFUBEAMEFN-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_21888
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: 2175387; UZI_ID: UZI-021896
Temperature 308 °C