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3-CYCLOBUTYLCARBONYL-5-(2-NITRO-5-METHOXYPHENYL)-2,2-DIMETHYL-2,3-DIHYDRO-1,3,4-THIADIAZOLE
SpectraBase Compound ID 5vPwvI77cL8
InChI InChI=1S/C16H19N3O4S/c1-16(2)18(15(20)10-5-4-6-10)17-14(24-16)12-9-11(23-3)7-8-13(12)19(21)22/h7-10H,4-6H2,1-3H3
InChIKey PBLPLMMYVSYJDN-UHFFFAOYSA-N
Mol Weight 349.41 g/mol
Molecular Formula C16H19N3O4S
Exact Mass 349.109627 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D00XQxCazlS
Name 3-CYCLOBUTYLCARBONYL-5-(2-NITRO-5-METHOXYPHENYL)-2,2-DIMETHYL-2,3-DIHYDRO-1,3,4-THIADIAZOLE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H19N3O4S
InChI InChI=1S/C16H19N3O4S/c1-16(2)18(15(20)10-5-4-6-10)17-14(24-16)12-9-11(23-3)7-8-13(12)19(21)22/h7-10H,4-6H2,1-3H3
InChIKey PBLPLMMYVSYJDN-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 349.405 g/mol
Solvent CDCl3
Source File Reference UWBT16246