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3-CYCLOPROPYLCARBONYL-5-(2-NITROPHENYL)-2,2-DIMETHYL-2,3-DIHYDRO-1,3,4-THIADIAZOLE
SpectraBase Compound ID 1tetPzAaG4d
InChI InChI=1S/C14H15N3O3S/c1-14(2)16(13(18)9-7-8-9)15-12(21-14)10-5-3-4-6-11(10)17(19)20/h3-6,9H,7-8H2,1-2H3
InChIKey IBPOHVMLPBYUFF-UHFFFAOYSA-N
Mol Weight 305.35 g/mol
Molecular Formula C14H15N3O3S
Exact Mass 305.083413 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 78fottV9pbt
Name 3-CYCLOPROPYLCARBONYL-5-(2-NITROPHENYL)-2,2-DIMETHYL-2,3-DIHYDRO-1,3,4-THIADIAZOLE
Compound Number 25
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H15N3O3S
InChI InChI=1S/C14H15N3O3S/c1-14(2)16(13(18)9-7-8-9)15-12(21-14)10-5-3-4-6-11(10)17(19)20/h3-6,9H,7-8H2,1-2H3
InChIKey IBPOHVMLPBYUFF-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 305.351 g/mol
Solvent CDCl3
Source File Reference UWBT16263