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2-AMINO-5-(1-METHYL-2-PHENYLETHYL)-1,3,4-THIADIAZOLE
SpectraBase Compound ID 3iqs4Oiloha
InChI InChI=1S/C11H13N3S/c1-8(10-13-14-11(12)15-10)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,12,14)
InChIKey QVJBQVVROUHXSG-UHFFFAOYSA-N
Mol Weight 219.31 g/mol
Molecular Formula C11H13N3S
Exact Mass 219.083019 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3fNqNpDMtrc
Name 2-AMINO-5-(1-METHYL-2-PHENYLETHYL)-1,3,4-THIADIAZOLE
Compound Number 149A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H13N3S
InChI InChI=1S/C11H13N3S/c1-8(10-13-14-11(12)15-10)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,12,14)
InChIKey QVJBQVVROUHXSG-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 219.304 g/mol
Sample ID 68005
Solvent DMSO-D6