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2-MERCAPTO-4-METHYL-delta2-1,3,4-THIADIAZOLINE-5-THIONE,TRITHIOCARBONATE (2:1) (ESTER)
SpectraBase Compound ID F8qT0qpdFTo
InChI InChI=1S/C7H6N4S7/c1-10-5(12)15-3(8-10)17-7(14)18-4-9-11(2)6(13)16-4/h1-2H3
InChIKey BUCLQQVLMDYCAS-UHFFFAOYSA-N
Mol Weight 370.6 g/mol
Molecular Formula C7H6N4S7
Exact Mass 369.863744 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KJ1AYGlh2tc
Name 2-MERCAPTO-4-METHYL-delta2-1,3,4-THIADIAZOLINE-5-THIONE,TRITHIOCARBONATE (2:1) (ESTER)
Source of Sample U. Anthoni, B. Mynster Dahl, H. Eggert Acta Chem. Scand. B 30, 71(1976)
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H6N4S7
InChI InChI=1S/C7H6N4S7/c1-10-5(12)15-3(8-10)17-7(14)18-4-9-11(2)6(13)16-4/h1-2H3
InChIKey BUCLQQVLMDYCAS-UHFFFAOYSA-N
Molecular Weight 370.60
Solvent Chloroform-d; Reference=TMS; Temperature=Ambient Spectrometer= Bruker WH-90
Synonyms THIADIAZOLINE-5-THIONE, D<2-1,3 4-, 2-MERCAPTO-4-METHYL-, TRITHIOCARBONATE /2 TO 1/ (ESTER)