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1-METHYL-4-{[(1-METHYL-1H-TETRAZOL-5-YL)THIO]METHYL}-2-TETRAZOLINE-5-THIONE

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1-METHYL-4-{[(1-METHYL-1H-TETRAZOL-5-YL)THIO]METHYL}-2-TETRAZOLINE-5-THIONE
SpectraBase Compound ID 7OfgcPRaFzj
InChI InChI=1S/C5H8N8S2/c1-11-4(6-7-8-11)15-3-13-5(14)12(2)9-10-13/h3H2,1-2H3
InChIKey RRWPCMXLMGPYJG-UHFFFAOYSA-N
Mol Weight 244.29 g/mol
Molecular Formula C5H8N8S2
Exact Mass 244.031335 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3FqLgI390Xo
Name 1-METHYL-4-{[(1-METHYL-1H-TETRAZOL-5-YL)THIO]METHYL}-2-TETRAZOLINE-5-THIONE
Source of Sample W. Tochtermann, H. Gustmann Chem. Ber. 111, 566(1978)
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H8N8S2
InChI InChI=1S/C5H8N8S2/c1-11-4(6-7-8-11)15-3-13-5(14)12(2)9-10-13/h3H2,1-2H3
InChIKey RRWPCMXLMGPYJG-UHFFFAOYSA-N
Molecular Weight 244.30
Solvent Dimethyl sulfoxide-d6; Reference=TMS; Temperature=Ambient Spectrometer= Bruker HX-90
Synonyms 2-TETRAZOLINE-5-THIONE, 1-METHYL-4-///1-METHYL-1H-TETRAZOL-5-YL/THIO/METHYL/-,