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2-[2-(difluoromethoxy)phenyl]-9-methyl-7-(trifluoromethyl)-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one
SpectraBase Compound ID JFhmK4gTqhY
InChI InChI=1S/C18H12F5N3O2S/c1-7-6-10(18(21,22)23)24-16-11(7)12-13(29-16)15(27)26-14(25-12)8-4-2-3-5-9(8)28-17(19)20/h2-6,14,17,25H,1H3,(H,26,27)
InChIKey XRJLLRDIXFCHGC-UHFFFAOYSA-N
Mol Weight 429.37 g/mol
Molecular Formula C18H12F5N3O2S
Exact Mass 429.057039 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HXWUwDvKEHu
Name 2-[2-(difluoromethoxy)phenyl]-9-methyl-7-(trifluoromethyl)-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-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/C18H12F5N3O2S/c1-7-6-10(18(21,22)23)24-16-11(7)12-13(29-16)15(27)26-14(25-12)8-4-2-3-5-9(8)28-17(19)20/h2-6,14,17,25H,1H3,(H,26,27)
InChIKey XRJLLRDIXFCHGC-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_2457
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/1187370; Labnumber: AMAMD-AL/027843; UZI_ID: UZI-002459
Temperature 308 °C