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3-(1,3-benzodioxol-5-yl)-7-(difluoromethyl)-9-methylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
SpectraBase Compound ID EH5ChMayJdO
InChI InChI=1S/C18H11F2N3O3S/c1-8-4-10(16(19)20)22-17-13(8)14-15(27-17)18(24)23(6-21-14)9-2-3-11-12(5-9)26-7-25-11/h2-6,16H,7H2,1H3
InChIKey SCHALHIYHZTHMJ-UHFFFAOYSA-N
Mol Weight 387.36 g/mol
Molecular Formula C18H11F2N3O3S
Exact Mass 387.048919 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8A8UZQGq8Et
Name 3-(1,3-benzodioxol-5-yl)-7-(difluoromethyl)-9-methylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
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/C18H11F2N3O3S/c1-8-4-10(16(19)20)22-17-13(8)14-15(27-17)18(24)23(6-21-14)9-2-3-11-12(5-9)26-7-25-11/h2-6,16H,7H2,1H3
InChIKey SCHALHIYHZTHMJ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_14263
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: UZI/1012585; UBI_ID: UBI-014266
Temperature 318 °C