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4-bromophenyl 3-[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 HX6O1Dy0EUD
InChI InChI=1S/C25H16BrF2N5OS/c1-13-9-18(22(27)28)30-25-19(13)20-21(35-25)24-31-23(32-33(24)12-29-20)15-4-2-3-14(10-15)11-34-17-7-5-16(26)6-8-17/h2-10,12,22H,11H2,1H3
InChIKey OHLHRCPMEDZVJI-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 2R2s5g8CaBP
Name 4-bromophenyl 3-[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/c1-13-9-18(22(27)28)30-25-19(13)20-21(35-25)24-31-23(32-33(24)12-29-20)15-4-2-3-14(10-15)11-34-17-7-5-16(26)6-8-17/h2-10,12,22H,11H2,1H3
InChIKey OHLHRCPMEDZVJI-UHFFFAOYSA-N
NMR Offset 17.912
NMR Spectrometer Frequency 500.077
Observed nucleus 1H
Origin 1H_SBI_36227_33139
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: 1912100; SBI_ID: SBI-033143
Synonyms 2-{3-[(4-bromophenoxy)methyl]phenyl}-9-(difluoromethyl)-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Temperature 303 °C