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OHQXSRLIXPAKQM-UHFFFAOYSA-N
SpectraBase Compound ID 3PRRnq55Flh
InChI InChI=1S/C10H11N3S/c1-8-12(2)11-10(14)13(8)9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKey OHQXSRLIXPAKQM-UHFFFAOYSA-N
Mol Weight 205.28 g/mol
Molecular Formula C10H11N3S
Exact Mass 205.067369 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A5aN06dBxGK
Name 1,5-DIMETHYL-3-MERCAPTO-4-PHENYL-4H-1,2,4-TRIAZOLIUM HYDROXIDE,INNER SALT
Source of Sample G. M. Shutske, M. N. Agnew J. Heterocyclic Chem. 18, 1025(1981)
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H11N3S
InChI InChI=1S/C10H11N3S/c1-8-12(2)11-10(14)13(8)9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKey OHQXSRLIXPAKQM-UHFFFAOYSA-N
Molecular Weight 205.28
Solvent Dimethyl sulfoxide-d6; Reference=TMS; Temperature=Ambient Spectrometer= Jeol FX-60
Synonyms TRIAZOLIUM HYDROXIDE, 4H-1,2,4-, 1,5-DIMETHYL-3-MERCAPTO-4-PHENYL-, INNER SALT