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4-ACETYL-2-ACETYLAMINO-5-ISOPROPENYL-4,5-DIHYDRO-1,3,4-THIADIAZOLE
SpectraBase Compound ID 79OevXTJI9r
InChI InChI=1S/C9H13N3O2S/c1-5(2)8-12(7(4)14)11-9(15-8)10-6(3)13/h8H,1H2,2-4H3,(H,10,11,13)
InChIKey KQSCVMHAWSURFX-UHFFFAOYSA-N
Mol Weight 227.28 g/mol
Molecular Formula C9H13N3O2S
Exact Mass 227.072848 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LjIPI4RL8nb
Name 4-Acetyl-2-acetamido-5-(1-methyl-vinyl)-4,5-dihydro-1,3,4-thiadiazole
CAS Registry Number 107261-59-6
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H13N3O2S
InChI InChI=1S/C9H13N3O2S/c1-5(2)8-12(7(4)14)11-9(15-8)10-6(3)13/h8H,1H2,2-4H3,(H,10,11,13)
InChIKey KQSCVMHAWSURFX-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Literature Reference S. Andreae, E. Schmitz, H. Seeboth, J. Prakt. Chem. 328, 205 (1986).
NMR Standard (CH3)6 Si2O
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6