3-pyridinecarbonitrile, 2-[[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]thio]-5-(2-thienylcarbonyl)-6-(trifluoromethyl)-

SpectraBase Compound ID	8AYlw2I44WE
InChI	InChI=1S/C21H11F3N2O4S2/c22-21(23,24)19-13(18(28)17-2-1-5-31-17)6-12(8-25)20(26-19)32-9-14(27)11-3-4-15-16(7-11)30-10-29-15/h1-7H,9-10H2
InChIKey	GMSDJPJMINJHPR-UHFFFAOYSA-N Google Search
Mol Weight	476.44 g/mol
Molecular Formula	C21H11F3N2O4S2
Exact Mass	476.011234 g/mol

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SpectraBase Spectrum ID	DGho2uKrBpN
Name	3-pyridinecarbonitrile, 2-[[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]thio]-5-(2-thienylcarbonyl)-6-(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/C21H11F3N2O4S2/c22-21(23,24)19-13(18(28)17-2-1-5-31-17)6-12(8-25)20(26-19)32-9-14(27)11-3-4-15-16(7-11)30-10-29-15/h1-7H,9-10H2
InChIKey	GMSDJPJMINJHPR-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_11628_2244
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: F14586; Labnumber: SHEL-S0837-0075