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pyrido[2,3-d]pyrimidin-4(1H)-one, 7-(1,3-benzodioxol-5-yl)-5-(difluoromethyl)-2-mercapto-1-(1-methylethyl)-
SpectraBase Compound ID 3EIVkkJ0r7V
InChI InChI=1S/C18H15F2N3O3S/c1-8(2)23-16-14(17(24)22-18(23)27)10(15(19)20)6-11(21-16)9-3-4-12-13(5-9)26-7-25-12/h3-6,8,15H,7H2,1-2H3,(H,22,24,27)
InChIKey ZZSZVBMVYOXUAF-UHFFFAOYSA-N
Mol Weight 391.39 g/mol
Molecular Formula C18H15F2N3O3S
Exact Mass 391.080219 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IoYHGabB19V
Name pyrido[2,3-d]pyrimidin-4(1H)-one, 7-(1,3-benzodioxol-5-yl)-5-(difluoromethyl)-2-mercapto-1-(1-methylethyl)-
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/C18H15F2N3O3S/c1-8(2)23-16-14(17(24)22-18(23)27)10(15(19)20)6-11(21-16)9-3-4-12-13(5-9)26-7-25-12/h3-6,8,15H,7H2,1-2H3,(H,22,24,27)
InChIKey ZZSZVBMVYOXUAF-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_23441
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: 2279006; UZI_ID: UZI-023449
Temperature 308 °C