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isoxazolo[5,4-b]pyridine, 3-(1,3-benzodioxol-5-yl)-6-(5-ethyl-2-thienyl)-4-(trifluoromethyl)-
SpectraBase Compound ID CCoKZdWdGCM
InChI InChI=1S/C20H13F3N2O3S/c1-2-11-4-6-16(29-11)13-8-12(20(21,22)23)17-18(25-28-19(17)24-13)10-3-5-14-15(7-10)27-9-26-14/h3-8H,2,9H2,1H3
InChIKey BLQQTFPQYXYYFS-UHFFFAOYSA-N
Mol Weight 418.39 g/mol
Molecular Formula C20H13F3N2O3S
Exact Mass 418.059898 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JD4O1utACDB
Name isoxazolo[5,4-b]pyridine, 3-(1,3-benzodioxol-5-yl)-6-(5-ethyl-2-thienyl)-4-(trifluoromethyl)-
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/C20H13F3N2O3S/c1-2-11-4-6-16(29-11)13-8-12(20(21,22)23)17-18(25-28-19(17)24-13)10-3-5-14-15(7-10)27-9-26-14/h3-8H,2,9H2,1H3
InChIKey BLQQTFPQYXYYFS-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_23769
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: 2285899; UZI_ID: UZI-023777
Temperature 308 °C