methyl 3-amino-6-(1,3-benzodioxol-5-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate

SpectraBase Compound ID	EJ9DhgVqYd2
InChI	InChI=1S/C17H11F3N2O4S/c1-24-16(23)14-13(21)12-8(17(18,19)20)5-9(22-15(12)27-14)7-2-3-10-11(4-7)26-6-25-10/h2-5H,6,21H2,1H3
InChIKey	FEPAFNQGKIYLPJ-UHFFFAOYSA-N Google Search
Mol Weight	396.34 g/mol
Molecular Formula	C17H11F3N2O4S
Exact Mass	396.039163 g/mol

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SpectraBase Spectrum ID	IiEXc2VN7YO
Name	methyl 3-amino-6-(1,3-benzodioxol-5-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate
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/C17H11F3N2O4S/c1-24-16(23)14-13(21)12-8(17(18,19)20)5-9(22-15(12)27-14)7-2-3-10-11(4-7)26-6-25-10/h2-5H,6,21H2,1H3
InChIKey	FEPAFNQGKIYLPJ-UHFFFAOYSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_9761
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: D60486; Labnumber: SHES3-0164; SBI_ID: SBI-009764
Temperature	308 °C