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pyrido[2,3-d]pyrimidin-4(1H)-one, 1-cyclopentyl-5-(difluoromethyl)-2-mercapto-7-(2-methoxyphenyl)-
SpectraBase Compound ID 79lS2HVOBDq
InChI InChI=1S/C20H19F2N3O2S/c1-27-15-9-5-4-8-12(15)14-10-13(17(21)22)16-18(23-14)25(11-6-2-3-7-11)20(28)24-19(16)26/h4-5,8-11,17H,2-3,6-7H2,1H3,(H,24,26,28)
InChIKey POZILPQHUXVLJB-UHFFFAOYSA-N
Mol Weight 403.45 g/mol
Molecular Formula C20H19F2N3O2S
Exact Mass 403.116604 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2OnkTwQvZdY
Name pyrido[2,3-d]pyrimidin-4(1H)-one, 1-cyclopentyl-5-(difluoromethyl)-2-mercapto-7-(2-methoxyphenyl)-
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/C20H19F2N3O2S/c1-27-15-9-5-4-8-12(15)14-10-13(17(21)22)16-18(23-14)25(11-6-2-3-7-11)20(28)24-19(16)26/h4-5,8-11,17H,2-3,6-7H2,1H3,(H,24,26,28)
InChIKey POZILPQHUXVLJB-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_23227
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: 2278113; UZI_ID: UZI-023235
Temperature 308 °C