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

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3-[9-(difluoromethyl)-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]benzyl 2,4-dimethylphenyl ether
SpectraBase Compound ID KtyZciUdav
InChI InChI=1S/C27H21F2N5OS/c1-14-7-8-20(15(2)9-14)35-12-17-5-4-6-18(11-17)25-32-26-23-22(30-13-34(26)33-25)21-16(3)10-19(24(28)29)31-27(21)36-23/h4-11,13,24H,12H2,1-3H3
InChIKey QUKZHQOIDYSQEZ-UHFFFAOYSA-N
Mol Weight 501.56 g/mol
Molecular Formula C27H21F2N5OS
Exact Mass 501.143488 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1jmHVSvtfNT
Name 3-[9-(difluoromethyl)-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]benzyl 2,4-dimethylphenyl 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/C27H21F2N5OS/c1-14-7-8-20(15(2)9-14)35-12-17-5-4-6-18(11-17)25-32-26-23-22(30-13-34(26)33-25)21-16(3)10-19(24(28)29)31-27(21)36-23/h4-11,13,24H,12H2,1-3H3
InChIKey QUKZHQOIDYSQEZ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_32833
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: 1911624; SBI_ID: SBI-032837
Synonyms 9-(difluoromethyl)-2-{3-[(2,4-dimethylphenoxy)methyl]phenyl}-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Temperature 318 °C