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2-{5-[(4-tert-butylphenoxy)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 JlUrd3d01zZ
InChI InChI=1S/C27H23F2N5O2S/c1-14-11-18(23(28)29)31-26-20(14)21-22(37-26)25-32-24(33-34(25)13-30-21)19-10-9-17(36-19)12-35-16-7-5-15(6-8-16)27(2,3)4/h5-11,13,23H,12H2,1-4H3
InChIKey ILUNMVGVCJVJIS-UHFFFAOYSA-N
Mol Weight 519.57 g/mol
Molecular Formula C27H23F2N5O2S
Exact Mass 519.154052 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FacYQGrKAFQ
Name 2-{5-[(4-tert-butylphenoxy)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 © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C27H23F2N5O2S/c1-14-11-18(23(28)29)31-26-20(14)21-22(37-26)25-32-24(33-34(25)13-30-21)19-10-9-17(36-19)12-35-16-7-5-15(6-8-16)27(2,3)4/h5-11,13,23H,12H2,1-4H3
InChIKey ILUNMVGVCJVJIS-UHFFFAOYSA-N
NMR Offset 17.9106
NMR Spectrometer Frequency 500.077
Observed nucleus 1H
Origin 1H_SBI_36227_32877
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: 1911684; SBI_ID: SBI-032881
Synonyms 4-tert-butylphenyl {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 303 °C