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pyrido[2,3-d]pyrimidin-4(1H)-one, 7-[4-(1,1-dimethylethyl)phenyl]-2-mercapto-1-(2-methoxyethyl)-5-(trifluoromethyl)-
SpectraBase Compound ID 185zp1Q2Sbg
InChI InChI=1S/C21H22F3N3O2S/c1-20(2,3)13-7-5-12(6-8-13)15-11-14(21(22,23)24)16-17(25-15)27(9-10-29-4)19(30)26-18(16)28/h5-8,11H,9-10H2,1-4H3,(H,26,28,30)
InChIKey OQHXTRUCDCPHGB-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 15oOWpruQjH
Name pyrido[2,3-d]pyrimidin-4(1H)-one, 7-[4-(1,1-dimethylethyl)phenyl]-2-mercapto-1-(2-methoxyethyl)-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/c1-20(2,3)13-7-5-12(6-8-13)15-11-14(21(22,23)24)16-17(25-15)27(9-10-29-4)19(30)26-18(16)28/h5-8,11H,9-10H2,1-4H3,(H,26,28,30)
InChIKey OQHXTRUCDCPHGB-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_23541
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: 2283206; UZI_ID: UZI-023549
Temperature 308 °C