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pyrido[2,3-d]pyrimidin-4(1H)-one, 7-(1,3-benzodioxol-5-yl)-5-(difluoromethyl)-2-mercapto-1-(2-methoxyethyl)-
SpectraBase Compound ID 1mWYbXA22iR
InChI InChI=1S/C18H15F2N3O4S/c1-25-5-4-23-16-14(17(24)22-18(23)28)10(15(19)20)7-11(21-16)9-2-3-12-13(6-9)27-8-26-12/h2-3,6-7,15H,4-5,8H2,1H3,(H,22,24,28)
InChIKey XMIHGBHETBSSDZ-UHFFFAOYSA-N
Mol Weight 407.39 g/mol
Molecular Formula C18H15F2N3O4S
Exact Mass 407.075133 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3bfF5BtzwwP
Name pyrido[2,3-d]pyrimidin-4(1H)-one, 7-(1,3-benzodioxol-5-yl)-5-(difluoromethyl)-2-mercapto-1-(2-methoxyethyl)-
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/C18H15F2N3O4S/c1-25-5-4-23-16-14(17(24)22-18(23)28)10(15(19)20)7-11(21-16)9-2-3-12-13(6-9)27-8-26-12/h2-3,6-7,15H,4-5,8H2,1H3,(H,22,24,28)
InChIKey XMIHGBHETBSSDZ-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_23529
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: 2283165; UZI_ID: UZI-023537
Temperature 308 °C