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5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-N-isobutyl-1,3,4-thiadiazol-2-aminium hydrogen sulfate
SpectraBase Compound ID 6xkV1MN2veq
InChI InChI=1S/C11H16ClN5S.H2O4S/c1-6(2)5-13-11-15-14-10(18-11)9-8(12)7(3)17(4)16-9;1-5(2,3)4/h6H,5H2,1-4H3,(H,13,15);(H2,1,2,3,4)
InChIKey ZSZUBGOHGBXGSR-UHFFFAOYSA-N
Mol Weight 383.87 g/mol
Molecular Formula C11H18ClN5O4S2
Exact Mass 383.048874 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID H8xGfGoWwFQ
Name 5-(4-chloro-1,5-dimethyl-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/C11H16ClN5S.H2O4S/c1-6(2)5-13-11-15-14-10(18-11)9-8(12)7(3)17(4)16-9;1-5(2,3)4/h6H,5H2,1-4H3,(H,13,15);(H2,1,2,3,4)
InChIKey ZSZUBGOHGBXGSR-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_14282
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/1013015; UBI_ID: UBI-014285
Temperature 308 °C