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6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-phenylethyl)sulfanyl]-4-(trifluoromethyl)nicotinonitrile
SpectraBase Compound ID D0tvCcjnPbL
InChI InChI=1S/C23H17F3N2O2S/c1-14(15-5-3-2-4-6-15)31-22-17(13-27)18(23(24,25)26)12-19(28-22)16-7-8-20-21(11-16)30-10-9-29-20/h2-8,11-12,14H,9-10H2,1H3
InChIKey WVUHYZSQFIYXGI-UHFFFAOYSA-N
Mol Weight 442.46 g/mol
Molecular Formula C23H17F3N2O2S
Exact Mass 442.096283 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AzaOxnAeiVJ
Name 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-phenylethyl)sulfanyl]-4-(trifluoromethyl)nicotinonitrile
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/C23H17F3N2O2S/c1-14(15-5-3-2-4-6-15)31-22-17(13-27)18(23(24,25)26)12-19(28-22)16-7-8-20-21(11-16)30-10-9-29-20/h2-8,11-12,14H,9-10H2,1H3
InChIKey WVUHYZSQFIYXGI-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25634
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: D60501; Labnumber: SHES3-0191; SBI_ID: SBI-025638
Temperature 308 °C