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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 35kFHNVunFv
Name 4-Acetyl-2-acetylamino-5-isopropenyl-4,5-dihydro-1,3,4-thiadiazol
Alternate Name(s) N-(4-acetyl-5-(prop-1-en-2-yl)-4,5-dihydro-1,3,4-thiadiazol-2-yl)acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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
Literature Reference DOI 10.1002/prac.19863280209
Molecular Weight 227.282 g/mol
SMILES N(C(=O)C)C=1SC(N(N1)C(=O)C)C(=C)C
SPLASH splash10-0006-9200000000-9ed9ba88d39a96301240
Source of Spectrum JF-328-211-2f
Wiley ID 1791457