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

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5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-N-isobutyl-1,3,4-thiadiazol-2-aminium hydrogen sulfate
SpectraBase Compound ID I3MVi47yQgY
InChI InChI=1S/C10H14ClN5S.H2O4S/c1-6(2)4-12-10-14-13-9(17-10)8-7(11)5-16(3)15-8;1-5(2,3)4/h5-6H,4H2,1-3H3,(H,12,14);(H2,1,2,3,4)
InChIKey NZXRZOOQIVWTQB-UHFFFAOYSA-N
Mol Weight 369.84 g/mol
Molecular Formula C10H16ClN5O4S2
Exact Mass 369.033224 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DukbfJoVaEB
Name 5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-N-isobutyl-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/C10H14ClN5S.H2O4S/c1-6(2)4-12-10-14-13-9(17-10)8-7(11)5-16(3)15-8;1-5(2,3)4/h5-6H,4H2,1-3H3,(H,12,14);(H2,1,2,3,4)
InChIKey NZXRZOOQIVWTQB-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_14814
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/1020234; UBI_ID: UBI-014817
Temperature 308 °C