methyl 2-({[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

SpectraBase Compound ID	ZkSKprneyA
InChI	InChI=1S/C17H17F4N3O3S/c1-27-17(26)13-8-4-2-3-5-11(8)28-16(13)22-12(25)7-24-10(15(20)21)6-9(23-24)14(18)19/h6,14-15H,2-5,7H2,1H3,(H,22,25)
InChIKey	WCXGQGTZJKXEFK-UHFFFAOYSA-N Google Search
Mol Weight	419.39 g/mol
Molecular Formula	C17H17F4N3O3S
Exact Mass	419.092675 g/mol

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SpectraBase Spectrum ID	SXZk1kMnPk
Name	methyl 2-({[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-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/C17H17F4N3O3S/c1-27-17(26)13-8-4-2-3-5-11(8)28-16(13)22-12(25)7-24-10(15(20)21)6-9(23-24)14(18)19/h6,14-15H,2-5,7H2,1H3,(H,22,25)
InChIKey	WCXGQGTZJKXEFK-UHFFFAOYSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_13525
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: UZI/1010445; UBI_ID: UBI-013528
Temperature	308 °C