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pyrido[2,3-d]pyrimidin-4(1H)-one, 2-mercapto-7-[4-(1-methylethyl)phenyl]-1-[(tetrahydro-2-furanyl)methyl]-5-(trifluoromethyl)-
SpectraBase Compound ID ALiKcUp5it7
InChI InChI=1S/C22H22F3N3O2S/c1-12(2)13-5-7-14(8-6-13)17-10-16(22(23,24)25)18-19(26-17)28(21(31)27-20(18)29)11-15-4-3-9-30-15/h5-8,10,12,15H,3-4,9,11H2,1-2H3,(H,27,29,31)
InChIKey MROCQKONDUBELQ-UHFFFAOYSA-N
Mol Weight 449.49 g/mol
Molecular Formula C22H22F3N3O2S
Exact Mass 449.138483 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID H0H2jd0mRP1
Name pyrido[2,3-d]pyrimidin-4(1H)-one, 2-mercapto-7-[4-(1-methylethyl)phenyl]-1-[(tetrahydro-2-furanyl)methyl]-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/C22H22F3N3O2S/c1-12(2)13-5-7-14(8-6-13)17-10-16(22(23,24)25)18-19(26-17)28(21(31)27-20(18)29)11-15-4-3-9-30-15/h5-8,10,12,15H,3-4,9,11H2,1-2H3,(H,27,29,31)
InChIKey MROCQKONDUBELQ-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_23481
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: 2279213; UZI_ID: UZI-023489
Temperature 308 °C