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pyrido[2,3-d]pyrimidin-4(1H)-one, 1-cyclopentyl-7-[4-(difluoromethoxy)phenyl]-2-mercapto-5-(trifluoromethyl)-
SpectraBase Compound ID D5J0m4ny7oo
InChI InChI=1S/C20H16F5N3O2S/c21-18(22)30-12-7-5-10(6-8-12)14-9-13(20(23,24)25)15-16(26-14)28(11-3-1-2-4-11)19(31)27-17(15)29/h5-9,11,18H,1-4H2,(H,27,29,31)
InChIKey INLNLRJZQKRUID-UHFFFAOYSA-N
Mol Weight 457.42 g/mol
Molecular Formula C20H16F5N3O2S
Exact Mass 457.088339 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6Z3Vy6FE0KV
Name pyrido[2,3-d]pyrimidin-4(1H)-one, 1-cyclopentyl-7-[4-(difluoromethoxy)phenyl]-2-mercapto-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/C20H16F5N3O2S/c21-18(22)30-12-7-5-10(6-8-12)14-9-13(20(23,24)25)15-16(26-14)28(11-3-1-2-4-11)19(31)27-17(15)29/h5-9,11,18H,1-4H2,(H,27,29,31)
InChIKey INLNLRJZQKRUID-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_23465
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: 2279139; UZI_ID: UZI-023473
Temperature 308 °C