5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(3-chlorophenyl)-1,3,4-thiadiazol-2-aminium hydrogen sulfate

SpectraBase Compound ID	5eXRQWxl1g2
InChI	InChI=1S/C14H13Cl2N5S.H2O4S/c1-8-13(16)9(2)21(20-8)7-12-18-19-14(22-12)17-11-5-3-4-10(15)6-11;1-5(2,3)4/h3-6H,7H2,1-2H3,(H,17,19);(H2,1,2,3,4)
InChIKey	QAHWWMHVVRKPKD-UHFFFAOYSA-N Google Search
Mol Weight	452.33 g/mol
Molecular Formula	C14H15Cl2N5O4S2
Exact Mass	450.994252 g/mol

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SpectraBase Spectrum ID	H3kC5bcvvhs
Name	5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(3-chlorophenyl)-1,3,4-thiadiazol-2-aminium hydrogen sulfate
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/C14H13Cl2N5S.H2O4S/c1-8-13(16)9(2)21(20-8)7-12-18-19-14(22-12)17-11-5-3-4-10(15)6-11;1-5(2,3)4/h3-6H,7H2,1-2H3,(H,17,19);(H2,1,2,3,4)
InChIKey	QAHWWMHVVRKPKD-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_14840
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/1020280; UBI_ID: UBI-014843
Temperature	308 °C