3-NIRO-O-XYLENE(616-69-3) Raman
Product Name3-NIRO-O-XYLENE
CAS616-69-3
Molecular FormulaC8H8N2O4
Molecular Weight196.16
InChIInChI=1S/C8H8N2O4/c1-5-3-7(9(11)12)4-8(6(5)2)10(13)14/h3-4H,1-2H3
InChIKey FHCBGLKAGXVKHS-UHFFFAOYSA-N
SmilesC1(C)=CC([N+]([O-])=O)=CC([N+]([O-])=O)=C1C
-
Assign. Shift(ppm)
A 8.448 B 8.240 C 2.53 D 2.51Spectral Code: 1H NMR : 90 MHz in CDCl3
-
ppm Int. Assign.
150.81 145 1 145.40 210 2 142.05 725 3 * 138.27 645 4 * 127.34 980 5 117.05 865 6 20.89 1000 7 15.88 925 8Spectral Code: 13C NMR : in CDCl3
-
Spectral Code: IR : KBr disc
-
Spectral Code: Raman : 4880 A,200 M,powder