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1-[3-amino-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]ethanone
SpectraBase Compound ID 35csgGWkgNE
InChI InChI=1S/C18H13F3N2O3S/c1-8(24)16-15(22)14-10(18(19,20)21)7-11(23-17(14)27-16)9-2-3-12-13(6-9)26-5-4-25-12/h2-3,6-7H,4-5,22H2,1H3
InChIKey DBUAZGTYCCRKML-UHFFFAOYSA-N
Mol Weight 394.37 g/mol
Molecular Formula C18H13F3N2O3S
Exact Mass 394.059898 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LDtEmvtYGA6
Name 1-[3-amino-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]ethanone
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/C18H13F3N2O3S/c1-8(24)16-15(22)14-10(18(19,20)21)7-11(23-17(14)27-16)9-2-3-12-13(6-9)26-5-4-25-12/h2-3,6-7H,4-5,22H2,1H3
InChIKey DBUAZGTYCCRKML-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25636
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: D60503; Labnumber: SHES3-0193; SBI_ID: SBI-025640
Temperature 308 °C