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2-bromophenyl 4-[9-(difluoromethyl)-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]benzyl ether

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2-bromophenyl 4-[9-(difluoromethyl)-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]benzyl ether
SpectraBase Compound ID 3i2U3ispqc3
InChI InChI=1S/C25H16BrF2N5OS/c1-13-10-17(22(27)28)30-25-19(13)20-21(35-25)24-31-23(32-33(24)12-29-20)15-8-6-14(7-9-15)11-34-18-5-3-2-4-16(18)26/h2-10,12,22H,11H2,1H3
InChIKey PYTOMBLKZZQDTK-UHFFFAOYSA-N
Mol Weight 552.4 g/mol
Molecular Formula C25H16BrF2N5OS
Exact Mass 551.022701 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8ALXOOqaFDw
Name 2-bromophenyl 4-[9-(difluoromethyl)-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]benzyl ether
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/C25H16BrF2N5OS/c1-13-10-17(22(27)28)30-25-19(13)20-21(35-25)24-31-23(32-33(24)12-29-20)15-8-6-14(7-9-15)11-34-18-5-3-2-4-16(18)26/h2-10,12,22H,11H2,1H3
InChIKey PYTOMBLKZZQDTK-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_33011
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: 1911895; SBI_ID: SBI-033015
Synonyms 2-{4-[(2-bromophenoxy)methyl]phenyl}-9-(difluoromethyl)-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Temperature 318 °C