Propene, 3-nitro-(625-46-7) 1H NMR
Product NamePropene, 3-nitro-
CAS625-46-7
Molecular FormulaC3H5NO2
Molecular Weight87.08
InChIInChI=1S/C3H5NO2/c1-2-3-4(5)6/h2H,1,3H2
InChIKey VLISOFDTMSFZPP-UHFFFAOYSA-N
SmilesC=CC[N+]([O-])=O
parameter in CDCl3
-
1H NMR 300 MHz C3 H5 N O2 5 % in CDCl3 3-nitropropene 
Parameter ppm Hz
D(A) 5.49 D(B) 5.46 D(C) 6.11 D(D) 4.93 J(A,B) 0.75 J(A,C) 10.38 J(A,D) -0.99 J(B,C) 16.73 J(B,D) -1.50 J(C,D) 6.99 FROEHLIN,H.J. ET AL. HELV.CHIM.ACTA 51, 1593 (1968)
Hz ppm Int.1854.08 6.180 130 1847.11 6.157 262 1843.68 6.146 149 1840.13 6.134 148 1836.72 6.122 322 1830.44 6.101 338 1827.02 6.090 180 1823.48 6.078 170 1820.05 6.067 344 1813.08 6.044 186 1652.54 5.508 538 1651.69 5.506 606 1650.79 5.503 305 1647.79 5.493 277 1646.33 5.488 519 1645.57 5.485 429 1644.92 5.483 342 1644.13 5.480 254 1643.00 5.477 268 1642.11 5.474 517 1641.25 5.471 520 1631.13 5.437 198 1629.69 5.432 393 1628.92 5.430 383 1627.48 5.425 200 1483.66 4.946 773 1482.60 4.942 1000 1482.31 4.941 997 1481.25 4.938 759 1476.69 4.922 745 1475.64 4.919 960 1475.33 4.918 958 1474.27 4.914 725