Acetoacet-p-phenetidide (122-82-7) 1H NMR
Product NameAcetoacet-p-phenetidide
CAS122-82-7
Molecular FormulaC12H15NO3
Molecular Weight221.25
InChIInChI=1S/C12H15NO3/c1-3-16-11-6-4-10(5-7-11)13-12(15)8-9(2)14/h4-7H,3,8H2,1-2H3,(H,13,15)
InChIKey WWROGCAUSKGAMX-UHFFFAOYSA-N
SmilesC(NC1=CC=C(OCC)C=C1)(=O)CC(=O)C
-
MassMS2004-02298WA p-acetoacetophenetidide C12H15NO3 (Mass of molecular ion: 221)
Source Temperature: 250 °C Sample Temperature: 20 °C Direct, 70 eV
27.0 2.8 29.0 3.1 39.0 1.9 42.0 1.2 43.0 28.4 51.0 1.4 52.0 4.0 53.0 4.9 63.0 1.8 64.0 1.7 65.0 3.0 69.0 1.3 78.0 1.2 79.0 2.5 80.0 7.9 81.0 9.7 85.0 4.9 91.0 1.1 92.0 1.3 93.0 1.0 107.0 5.5 108.0 100.0 109.0 81.4 110.0 6.4 122.0 1.7 134.0 1.3 135.0 50.3 136.0 5.9 137.0 51.6 138.0 5.2 150.0 2.0 163.0 71.8 164.0 7.6 178.0 1.0 221.0 92.3 222.0 13.1 223.0 1.4
in CDCl3
in CDCl3
KBr disc
nujol mull
