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4-ACETYL-2-BENZOYLAMINO-5,5-PENTAMETHYLEN-4,5-DIHYDRO-1,3,4-THIADIAZOLE

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4-ACETYL-2-BENZOYLAMINO-5,5-PENTAMETHYLEN-4,5-DIHYDRO-1,3,4-THIADIAZOLE
SpectraBase Compound ID DK357Vu1XPu
InChI InChI=1S/C16H19N3O2S/c1-12(20)19-16(10-6-3-7-11-16)22-15(18-19)17-14(21)13-8-4-2-5-9-13/h2,4-5,8-9H,3,6-7,10-11H2,1H3,(H,17,18,21)
InChIKey QZOSWGISDYXRNQ-UHFFFAOYSA-N
Mol Weight 317.41 g/mol
Molecular Formula C16H19N3O2S
Exact Mass 317.119798 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ke8D3gDIRRH
Name 4-Acetyl-2-benzamido-5,5-pentamethylene-4,5-dihydro-1,3,4-thiadiazole
CAS Registry Number 107261-63-2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H19N3O2S
InChI InChI=1S/C16H19N3O2S/c1-12(20)19-16(10-6-3-7-11-16)22-15(18-19)17-14(21)13-8-4-2-5-9-13/h2,4-5,8-9H,3,6-7,10-11H2,1H3,(H,17,18,21)
InChIKey QZOSWGISDYXRNQ-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