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

SpectraBase Compound ID	DrWFiLfBT1c
InChI	InChI=1S/C14H14ClN5S.H2O4S/c1-9-6-10(2)20(19-9)8-13-17-18-14(21-13)16-12-5-3-4-11(15)7-12;1-5(2,3)4/h3-7H,8H2,1-2H3,(H,16,18);(H2,1,2,3,4)
InChIKey	KNOFSQDTAHQPDS-UHFFFAOYSA-N Google Search
Mol Weight	417.89 g/mol
Molecular Formula	C14H16ClN5O4S2
Exact Mass	417.033224 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	E3uWuj4S5PA
Name	N-(3-chlorophenyl)-5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-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/C14H14ClN5S.H2O4S/c1-9-6-10(2)20(19-9)8-13-17-18-14(21-13)16-12-5-3-4-11(15)7-12;1-5(2,3)4/h3-7H,8H2,1-2H3,(H,16,18);(H2,1,2,3,4)
InChIKey	KNOFSQDTAHQPDS-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_14752
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/1020115; UBI_ID: UBI-014755
Temperature	308 °C