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3-BUTYLCARBONYL-5-(2-AMINO-5-METHOXYPHENYL)-2,2-DIMETHYL-2,3-DIHYDRO-1,3,4-THIADIAZOLE
SpectraBase Compound ID 8GgtMhHWwJs
InChI InChI=1S/C16H23N3O2S/c1-5-6-7-14(20)19-16(2,3)22-15(18-19)12-10-11(21-4)8-9-13(12)17/h8-10H,5-7,17H2,1-4H3
InChIKey YZAFKWOSISTHQZ-UHFFFAOYSA-N
Mol Weight 321.44 g/mol
Molecular Formula C16H23N3O2S
Exact Mass 321.151098 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7sFFeZutomn
Name 3-BUTYLCARBONYL-5-(2-AMINO-5-METHOXYPHENYL)-2,2-DIMETHYL-2,3-DIHYDRO-1,3,4-THIADIAZOLE
Compound Number 33
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H23N3O2S
InChI InChI=1S/C16H23N3O2S/c1-5-6-7-14(20)19-16(2,3)22-15(18-19)12-10-11(21-4)8-9-13(12)17/h8-10H,5-7,17H2,1-4H3
InChIKey YZAFKWOSISTHQZ-UHFFFAOYSA-N
Literature Reference Author M.D.CARRION,L.C.LOPEZ-CARA,M.CHAYAH,D.CHOQUESILLO-LAZARTE,M. A.GALLO,A.ESPINOSA,A
Literature Reference Citation MAGN.RES.CHEM.,50,515(2012)
Literature Reference DOI 10.1002/mrc.3830
Molecular Weight 321.438 g/mol
Solvent CDCl3
Source File Reference UWBT16271