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

SpectraBase Compound ID	E2HlgpyHkZN
InChI	InChI=1S/C21H17Cl2N3OS/c1-12-19(13(2)26(25-12)11-14-7-3-5-9-16(14)22)24-21(27)20-18(23)15-8-4-6-10-17(15)28-20/h3-10H,11H2,1-2H3,(H,24,27)
InChIKey	VSVZUFQAGVVLFP-UHFFFAOYSA-N Google Search
Mol Weight	430.35 g/mol
Molecular Formula	C21H17Cl2N3OS
Exact Mass	429.046939 g/mol

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SpectraBase Spectrum ID	FVrYUqEAkFv
Name	3-chloro-N-[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-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/C21H17Cl2N3OS/c1-12-19(13(2)26(25-12)11-14-7-3-5-9-16(14)22)24-21(27)20-18(23)15-8-4-6-10-17(15)28-20/h3-10H,11H2,1-2H3,(H,24,27)
InChIKey	VSVZUFQAGVVLFP-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_5233
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: 9080461; UBI_ID: UBI-005235
Temperature	318 °C