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

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5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-N-cyclohexyl-1,3,4-thiadiazol-2-aminium hydrogen sulfate
SpectraBase Compound ID 3pp6jY4McGh
InChI InChI=1S/C12H16ClN5S.H2O4S/c1-18-7-9(13)10(17-18)11-15-16-12(19-11)14-8-5-3-2-4-6-8;1-5(2,3)4/h7-8H,2-6H2,1H3,(H,14,16);(H2,1,2,3,4)
InChIKey MGWLDVJCADLJLV-UHFFFAOYSA-N
Mol Weight 395.88 g/mol
Molecular Formula C12H18ClN5O4S2
Exact Mass 395.048874 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Hlw4kvcFyaW
Name 5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-N-cyclohexyl-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/C12H16ClN5S.H2O4S/c1-18-7-9(13)10(17-18)11-15-16-12(19-11)14-8-5-3-2-4-6-8;1-5(2,3)4/h7-8H,2-6H2,1H3,(H,14,16);(H2,1,2,3,4)
InChIKey MGWLDVJCADLJLV-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_14790
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent ACETONE-d6
Source File Reference VendorID: UZI/1020185; UBI_ID: UBI-014793
Temperature 308 °C