3-chloro-N-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl]-1-benzothiophene-2-carboxamide

SpectraBase Compound ID	7wodNhdX5WI
InChI	InChI=1S/C21H18ClN3OS/c1-13-17(14(2)25(24-13)15-8-4-3-5-9-15)12-23-21(26)20-19(22)16-10-6-7-11-18(16)27-20/h3-11H,12H2,1-2H3,(H,23,26)
InChIKey	AOLNMTRBIVXNGO-UHFFFAOYSA-N Google Search
Mol Weight	395.91 g/mol
Molecular Formula	C21H18ClN3OS
Exact Mass	395.085911 g/mol

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SpectraBase Spectrum ID	1jmD9uk3ifu
Name	3-chloro-N-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl]-1-benzothiophene-2-carboxamide
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/C21H18ClN3OS/c1-13-17(14(2)25(24-13)15-8-4-3-5-9-15)12-23-21(26)20-19(22)16-10-6-7-11-18(16)27-20/h3-11H,12H2,1-2H3,(H,23,26)
InChIKey	AOLNMTRBIVXNGO-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_2409
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: 9284663; UBI_ID: UBI-002410
Temperature	315 °C