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N-(3-chlorophenyl)-5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-aminium hydrogen sulfate
SpectraBase Compound ID EG1DdHZuPsc
InChI InChI=1S/C14H13ClN6O2S.H2O4S/c1-8-13(21(22)23)9(2)20(19-8)7-12-17-18-14(24-12)16-11-5-3-4-10(15)6-11;1-5(2,3)4/h3-6H,7H2,1-2H3,(H,16,18);(H2,1,2,3,4)
InChIKey OXQIQRIUIVUPBC-UHFFFAOYSA-N
Mol Weight 462.88 g/mol
Molecular Formula C14H15ClN6O6S2
Exact Mass 462.018302 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LKuTT0JKlnD
Name N-(3-chlorophenyl)-5-[(3,5-dimethyl-4-nitro-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/C14H13ClN6O2S.H2O4S/c1-8-13(21(22)23)9(2)20(19-8)7-12-17-18-14(24-12)16-11-5-3-4-10(15)6-11;1-5(2,3)4/h3-6H,7H2,1-2H3,(H,16,18);(H2,1,2,3,4)
InChIKey OXQIQRIUIVUPBC-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_14660
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/1019911; UBI_ID: UBI-014663
Temperature 308 °C