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3-METHYLCARBONYL-5-(2-AMINO-5-METHOXYPHENYL)-2,2-DIMETHYL-2,3-DIHYDRO-1,3,4-THIADIAZOLE
SpectraBase Compound ID Kzkbx87UIs4
InChI InChI=1S/C13H17N3O2S/c1-8(17)16-13(2,3)19-12(15-16)10-7-9(18-4)5-6-11(10)14/h5-7H,14H2,1-4H3
InChIKey ZNTHFDKIAXZLTF-UHFFFAOYSA-N
Mol Weight 279.36 g/mol
Molecular Formula C13H17N3O2S
Exact Mass 279.104148 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kwspm74bZKF
Name 3-METHYLCARBONYL-5-(2-AMINO-5-METHOXYPHENYL)-2,2-DIMETHYL-2,3-DIHYDRO-1,3,4-THIADIAZOLE
Compound Number 30
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H17N3O2S
InChI InChI=1S/C13H17N3O2S/c1-8(17)16-13(2,3)19-12(15-16)10-7-9(18-4)5-6-11(10)14/h5-7H,14H2,1-4H3
InChIKey ZNTHFDKIAXZLTF-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 279.357 g/mol
Solvent CDCl3
Source File Reference UWBT16268