Product Name3-Nitroselenophene
Molecular FormulaC4H3NO2Se
Molecular Weight176.03212
InChIInChI=1S/C4H3NO2Se/c6-5(7)4-1-2-8-3-4/h1-3H
InChIKey VMHCHVIEZYPUEN-UHFFFAOYSA-N
Smiles[Se]1C=CC([N+]([O-])=O)=C1
Parameter ppm Hz
D(A) 9.412 D(B) 7.98 D(C) 8.335 J(A,B) 1.55 J(A,C) 2.75 J(B,C) 5.85 SIMONNIN,M.P. ET AL. ORG.MAGN.RESON. 8, 508 (1976) J(A,SE-77):38.20HZ. J(B,SE-77):8.50HZ. J(C,SE-77):43.25HZ.
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