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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 GRu6Hu3crLZ
Name 4-ACETYL-2-BENZOYLAMINO-5,5-PENTAMETHYLEN-4,5-DIHYDRO-1,3,4-THIADIAZOLE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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
Literature Reference Author S.ANDREAE,E.SCHMITZ,H.SEEBOTH
Literature Reference Citation J.PRAKT.CHEM.,328,205(1986)
Literature Reference DOI 10.1002/prac.19863280209
Molecular Weight 317.406 g/mol
Solvent DMSO-D6
Source File Reference UWED10232