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2-AMINO-5-(METHYLBUTYL)-1,3,4-THIADIAZOLE
SpectraBase Compound ID JsmSq9yM6C
InChI InChI=1S/C7H13N3S/c1-3-4-5(2)6-9-10-7(8)11-6/h5H,3-4H2,1-2H3,(H2,8,10)
InChIKey HOHNTLTVCFMTLE-UHFFFAOYSA-N
Mol Weight 171.26 g/mol
Molecular Formula C7H13N3S
Exact Mass 171.083019 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KufEMqSWZyy
Name 2-AMINO-5-(METHYLBUTYL)-1,3,4-THIADIAZOLE
Compound Number 1 48A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H13N3S
InChI InChI=1S/C7H13N3S/c1-3-4-5(2)6-9-10-7(8)11-6/h5H,3-4H2,1-2H3,(H2,8,10)
InChIKey HOHNTLTVCFMTLE-UHFFFAOYSA-N
Literature Reference Author W.J.SPILLANE,C.M.COYLE,B.G.FEENEY,E.F.THOMPSON
Literature Reference Citation J.AGR.FOOD.CHEM.,57,5486(2009)
Literature Reference DOI 10.1021/jf9002472
Molecular Weight 171.260 g/mol
Sample ID 68004
Solvent DMSO-D6