For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-N-(4-methylphenyl)-1,3,4-thiadiazol-2-aminium hydrogen sulfate

View entire compound with spectra: 1 NMR

5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-N-(4-methylphenyl)-1,3,4-thiadiazol-2-aminium hydrogen sulfate
SpectraBase Compound ID 7zl8yuun0o8
InChI InChI=1S/C13H12ClN5S.H2O4S/c1-8-3-5-9(6-4-8)15-13-17-16-12(20-13)11-10(14)7-19(2)18-11;1-5(2,3)4/h3-7H,1-2H3,(H,15,17);(H2,1,2,3,4)
InChIKey HRTXKILQZJHEIO-UHFFFAOYSA-N
Mol Weight 403.86 g/mol
Molecular Formula C13H14ClN5O4S2
Exact Mass 403.017574 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Dd4ITMfeLni
Name 5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-N-(4-methylphenyl)-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/C13H12ClN5S.H2O4S/c1-8-3-5-9(6-4-8)15-13-17-16-12(20-13)11-10(14)7-19(2)18-11;1-5(2,3)4/h3-7H,1-2H3,(H,15,17);(H2,1,2,3,4)
InChIKey HRTXKILQZJHEIO-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_14436
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/1016364; UBI_ID: UBI-014439
Temperature 308 °C