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pyrido[2,3-d]pyrimidin-4(1H)-one, 7-(1,3-benzodioxol-5-yl)-1-cyclopentyl-5-(difluoromethyl)-2-mercapto-
SpectraBase Compound ID 9utiLNokdxL
InChI InChI=1S/C20H17F2N3O3S/c21-17(22)12-8-13(10-5-6-14-15(7-10)28-9-27-14)23-18-16(12)19(26)24-20(29)25(18)11-3-1-2-4-11/h5-8,11,17H,1-4,9H2,(H,24,26,29)
InChIKey CNAQVGQQEDLWTO-UHFFFAOYSA-N
Mol Weight 417.43 g/mol
Molecular Formula C20H17F2N3O3S
Exact Mass 417.095869 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3lz85JYCwr1
Name pyrido[2,3-d]pyrimidin-4(1H)-one, 7-(1,3-benzodioxol-5-yl)-1-cyclopentyl-5-(difluoromethyl)-2-mercapto-
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/C20H17F2N3O3S/c21-17(22)12-8-13(10-5-6-14-15(7-10)28-9-27-14)23-18-16(12)19(26)24-20(29)25(18)11-3-1-2-4-11/h5-8,11,17H,1-4,9H2,(H,24,26,29)
InChIKey CNAQVGQQEDLWTO-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_23256
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: 2278252; UZI_ID: UZI-023264
Temperature 308 °C