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4-({3-[9-(difluoromethyl)-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]benzyl}oxy)benzonitrile
SpectraBase Compound ID 28PPU1y0bDz
InChI InChI=1S/C26H16F2N6OS/c1-14-9-19(23(27)28)31-26-20(14)21-22(36-26)25-32-24(33-34(25)13-30-21)17-4-2-3-16(10-17)12-35-18-7-5-15(11-29)6-8-18/h2-10,13,23H,12H2,1H3
InChIKey VHSNAXPUNYMJQO-UHFFFAOYSA-N
Mol Weight 498.51 g/mol
Molecular Formula C26H16F2N6OS
Exact Mass 498.107437 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID D5u0UCCP0ie
Name 4-({3-[9-(difluoromethyl)-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]benzyl}oxy)benzonitrile
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/C26H16F2N6OS/c1-14-9-19(23(27)28)31-26-20(14)21-22(36-26)25-32-24(33-34(25)13-30-21)17-4-2-3-16(10-17)12-35-18-7-5-15(11-29)6-8-18/h2-10,13,23H,12H2,1H3
InChIKey VHSNAXPUNYMJQO-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_32774
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: 1911533; SBI_ID: SBI-032778
Temperature 318 °C