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

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5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-N-(4-nitrophenyl)-1,3,4-thiadiazol-2-aminium hydrogen sulfate
SpectraBase Compound ID EmpZlheRH7U
InChI InChI=1S/C12H9ClN6O2S.H2O4S/c1-18-6-9(13)10(17-18)11-15-16-12(22-11)14-7-2-4-8(5-3-7)19(20)21;1-5(2,3)4/h2-6H,1H3,(H,14,16);(H2,1,2,3,4)
InChIKey TYHADJJBOXLZGU-UHFFFAOYSA-N
Mol Weight 434.83 g/mol
Molecular Formula C12H11ClN6O6S2
Exact Mass 433.987002 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KqPJllVPhPw
Name 5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-N-(4-nitrophenyl)-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/C12H9ClN6O2S.H2O4S/c1-18-6-9(13)10(17-18)11-15-16-12(22-11)14-7-2-4-8(5-3-7)19(20)21;1-5(2,3)4/h2-6H,1H3,(H,14,16);(H2,1,2,3,4)
InChIKey TYHADJJBOXLZGU-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_14418
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/1016068; UBI_ID: UBI-014421
Temperature 308 °C