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N-(4-acetyl-5,5-dimethyl-delta^2-1,3,4-thiadiazolin-2-yl)benzamide

View entire compound with spectra: 3 NMR, 1 FTIR, 1 UV-Vis, and 1 MS (GC)

N-(4-acetyl-5,5-dimethyl-delta^2-1,3,4-thiadiazolin-2-yl)benzamide
SpectraBase Compound ID 8o4ocXTgZTI
InChI InChI=1S/C13H15N3O2S/c1-9(17)16-13(2,3)19-12(15-16)14-11(18)10-7-5-4-6-8-10/h4-8H,1-3H3,(H,14,15,18)
InChIKey NPCQQCDWGBOGFB-UHFFFAOYSA-N
Mol Weight 277.34 g/mol
Molecular Formula C13H15N3O2S
Exact Mass 277.088498 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2SE92mj7quW
Name 4-Acetyl-2-benzamido-5,5-dimethyl-4,5-dihydro-1,3,4-thiadiazole
CAS Registry Number 107261-64-3
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H15N3O2S
InChI InChI=1S/C13H15N3O2S/c1-9(17)16-13(2,3)19-12(15-16)14-11(18)10-7-5-4-6-8-10/h4-8H,1-3H3,(H,14,15,18)
InChIKey NPCQQCDWGBOGFB-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