3-Nitrobenzaldoxime(3431-62-7) IR1
Product Name3-Nitrobenzaldoxime
CAS3431-62-7
Molecular FormulaC7H6N2O3
Molecular Weight166.13
InChIInChI=1S/C7H6N2O3/c10-8-5-6-2-1-3-7(4-6)9(11)12/h1-5,10H
InChIKey GQMMRLBWXCGBEV-UHFFFAOYSA-N
SmilesC(=NO)C1=CC=CC([N+]([O-])=O)=C1
-
Assign. Shift(ppm)
A 8.411 B 8.209 C 8.208 D 8.08 E 7.890 F 7.559Spectral Code: 1H NMR : 400 MHz at 60C
-
ppm Int. Assign.
148.01 139 1 147.46 881 2 133.20 448 3 131.50 930 4 128.83 881 5 123.42 980 6 120.90 1000 7Spectral Code: 13C NMR : in CDCl3
-
Spectral Code: IR : nujol mull
-
Spectral Code: Raman : 4880 A,200 M,powder
