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2-{5-[(3-chloro-4-fluorophenoxy)methyl]-2-furyl}-9-(difluoromethyl)-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
SpectraBase Compound ID 24LH2XCOboa
InChI InChI=1S/C23H13ClF3N5O2S/c1-10-6-15(20(26)27)29-23-17(10)18-19(35-23)22-30-21(31-32(22)9-28-18)16-5-3-12(34-16)8-33-11-2-4-14(25)13(24)7-11/h2-7,9,20H,8H2,1H3
InChIKey MOFPUBWZBHYYGT-UHFFFAOYSA-N
Mol Weight 515.9 g/mol
Molecular Formula C23H13ClF3N5O2S
Exact Mass 515.043058 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KHojxBc3YR6
Name 2-{5-[(3-chloro-4-fluorophenoxy)methyl]-2-furyl}-9-(difluoromethyl)-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
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/C23H13ClF3N5O2S/c1-10-6-15(20(26)27)29-23-17(10)18-19(35-23)22-30-21(31-32(22)9-28-18)16-5-3-12(34-16)8-33-11-2-4-14(25)13(24)7-11/h2-7,9,20H,8H2,1H3
InChIKey MOFPUBWZBHYYGT-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_33089
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: 1912020; SBI_ID: SBI-033093
Synonyms 3-chloro-4-fluorophenyl {5-[9-(difluoromethyl)-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-2-furyl}methyl ether
Temperature 306 °C