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3-CYCLOPENTYLCARBONYL-5-(2-NITRO-5-METHOXYPHENYL)-2,2-DIMETHYL-2,3-DIHYDRO-1,3,4-THIADIAZOLE
SpectraBase Compound ID JPD7nyX8Ojo
InChI InChI=1S/C17H21N3O4S/c1-17(2)19(16(21)11-6-4-5-7-11)18-15(25-17)13-10-12(24-3)8-9-14(13)20(22)23/h8-11H,4-7H2,1-3H3
InChIKey BHSQWEFUTNCKGM-UHFFFAOYSA-N
Mol Weight 363.43 g/mol
Molecular Formula C17H21N3O4S
Exact Mass 363.125277 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 53kmBRYTgK0
Name 3-CYCLOPENTYLCARBONYL-5-(2-NITRO-5-METHOXYPHENYL)-2,2-DIMETHYL-2,3-DIHYDRO-1,3,4-THIADIAZOLE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H21N3O4S
InChI InChI=1S/C17H21N3O4S/c1-17(2)19(16(21)11-6-4-5-7-11)18-15(25-17)13-10-12(24-3)8-9-14(13)20(22)23/h8-11H,4-7H2,1-3H3
InChIKey BHSQWEFUTNCKGM-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 363.431 g/mol
Solvent CDCl3
Source File Reference UWBT16247