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pyrido[2,3-d]pyrimidin-4(1H)-one, 2-mercapto-1-(3-methoxypropyl)-7-[4-(1-methylethyl)phenyl]-5-(trifluoromethyl)-
SpectraBase Compound ID CZJBynvgMRj
InChI InChI=1S/C21H22F3N3O2S/c1-12(2)13-5-7-14(8-6-13)16-11-15(21(22,23)24)17-18(25-16)27(9-4-10-29-3)20(30)26-19(17)28/h5-8,11-12H,4,9-10H2,1-3H3,(H,26,28,30)
InChIKey XERJHIXDJYPKQS-UHFFFAOYSA-N
Mol Weight 437.48 g/mol
Molecular Formula C21H22F3N3O2S
Exact Mass 437.138483 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 93PavL63DkQ
Name pyrido[2,3-d]pyrimidin-4(1H)-one, 2-mercapto-1-(3-methoxypropyl)-7-[4-(1-methylethyl)phenyl]-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/C21H22F3N3O2S/c1-12(2)13-5-7-14(8-6-13)16-11-15(21(22,23)24)17-18(25-16)27(9-4-10-29-3)20(30)26-19(17)28/h5-8,11-12H,4,9-10H2,1-3H3,(H,26,28,30)
InChIKey XERJHIXDJYPKQS-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_21851
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: 2159110; UZI_ID: UZI-021859
Temperature 308 °C