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2-[3-(4-bromophenyl)-1H-pyrazol-4-yl]-9-methyl-7-(trifluoromethyl)-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one

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2-[3-(4-bromophenyl)-1H-pyrazol-4-yl]-9-methyl-7-(trifluoromethyl)-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one
SpectraBase Compound ID BBSLglhHIIs
InChI InChI=1S/C20H13BrF3N5OS/c1-8-6-12(20(22,23)24)26-19-13(8)15-16(31-19)18(30)28-17(27-15)11-7-25-29-14(11)9-2-4-10(21)5-3-9/h2-7,17,27H,1H3,(H,25,29)(H,28,30)
InChIKey FOJPHPHUHMOQKS-UHFFFAOYSA-N
Mol Weight 508.32 g/mol
Molecular Formula C20H13BrF3N5OS
Exact Mass 506.997629 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BCBCtA5lGEr
Name 2-[3-(4-bromophenyl)-1H-pyrazol-4-yl]-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/C20H13BrF3N5OS/c1-8-6-12(20(22,23)24)26-19-13(8)15-16(31-19)18(30)28-17(27-15)11-7-25-29-14(11)9-2-4-10(21)5-3-9/h2-7,17,27H,1H3,(H,25,29)(H,28,30)
InChIKey FOJPHPHUHMOQKS-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_2456
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/1212089; Labnumber: AMAMD-AL/027682; UZI_ID: UZI-002458
Temperature 308 °C