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3-BUTYLCARBONYL-5-(2-NITRO-5-METHOXYPHENYL)-2,2-DIMETHYL-2,3-DIHYDRO-1,3,4-THIADIAZOLE
SpectraBase Compound ID G5HWLh4LT6u
InChI InChI=1S/C16H21N3O4S/c1-5-6-7-14(20)18-16(2,3)24-15(17-18)12-10-11(23-4)8-9-13(12)19(21)22/h8-10H,5-7H2,1-4H3
InChIKey XKPVGOJEXQIQIO-UHFFFAOYSA-N
Mol Weight 351.42 g/mol
Molecular Formula C16H21N3O4S
Exact Mass 351.125277 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7hE0X6YBVug
Name 3-BUTYLCARBONYL-5-(2-NITRO-5-METHOXYPHENYL)-2,2-DIMETHYL-2,3-DIHYDRO-1,3,4-THIADIAZOLE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H21N3O4S
InChI InChI=1S/C16H21N3O4S/c1-5-6-7-14(20)18-16(2,3)24-15(17-18)12-10-11(23-4)8-9-13(12)19(21)22/h8-10H,5-7H2,1-4H3
InChIKey XKPVGOJEXQIQIO-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 351.420 g/mol
Solvent CDCl3
Source File Reference UWBT16244