MYRISTANILIDE(622-56-0) MS
Product NameMYRISTANILIDE
CAS622-56-0
Molecular FormulaC20H33NO
Molecular Weight303.48
InChIInChI=1S/C20H33NO/c1-2-3-4-5-6-7-8-9-10-11-15-18-20(22)21-19-16-13-12-14-17-19/h12-14,16-17H,2-11,15,18H2,1H3,(H,21,22)
InChIKey LYSJUAWWUBVYCB-UHFFFAOYSA-N
SmilesC(NC1=CC=CC=C1)(=O)CCCCCCCCCCCCC
-
MassMS-NW-1948 tetradacananilide C20H33NO (Mass of molecular ion: 303)
Source Temperature: 200 °C Sample Temperature: 120 °C Direct, 75 eV
29.0 2.6 41.0 5.6 43.0 7.4 55.0 4.0 57.0 4.8 65.0 1.4 66.0 1.1 69.0 1.7 71.0 1.9 77.0 2.1 85.0 1.0 92.0 2.8 93.0 100.0 94.0 11.1 95.0 1.0 120.0 2.2 135.0 18.9 136.0 1.8 148.0 1.7 303.0 6.2 304.0 1.3
90 MHz in CDCl3
-
1H NMR 89.56 MHz C20 H33 N O 0.027 g : 0.5 ml CDCl3 tetradacananilide 
Assign. Shift(ppm)
A 7.49 B 7.47 C 7.29 D 7.093 E 2.325 F 1.70 G 1.25 J 0.882
Hz ppm Int.676.50 7.554 32 670.94 7.492 36 669.31 7.474 61 668.25 7.462 61 660.88 7.380 24 659.56 7.365 35 652.63 7.288 74 650.88 7.268 23 644.94 7.202 35 639.38 7.140 32 632.50 7.063 30 209.75 2.343 50 201.69 2.253 41 112.31 1.255 1000 83.81 0.936 30 78.69 0.879 97 72.50 0.810 21
in CDCl3
CCl4 solution
KBr disc
4880 A,200 M,powder
