Tetradecanal(124-25-4) IR1
Product NameTetradecanal
CAS124-25-4
Molecular FormulaC14H28O
Molecular Weight212.37
InChIInChI=1S/C14H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h14H,2-13H2,1H3
InChIKey UHUFTBALEZWWIH-UHFFFAOYSA-N
SmilesC(=O)CCCCCCCCCCCCC
-
MassMS-IW-3684 tetradecanal C14H28O (Mass of molecular ion: 212)
Source Temperature: 210 °C Sample Temperature: 160 °C Reservoir, 75 eV
27.0 13.7 28.0 3.1 29.0 32.6 31.0 1.1 39.0 10.5 40.0 2.1 41.0 67.4 42.0 16.8 43.0 80.7 44.0 31.0 45.0 13.1 53.0 4.8 54.0 15.6 55.0 71.1 56.0 37.2 57.0 100.0 58.0 6.7 59.0 1.0 66.0 8.8 67.0 42.1 68.0 55.2 69.0 51.0 70.0 32.8 71.0 44.0 72.0 8.9 73.0 1.2 79.0 2.6 80.0 3.0 81.0 37.6 82.0 86.3 83.0 47.3 84.0 21.2 85.0 22.7 86.0 3.1 93.0 1.1 94.0 2.3 95.0 34.5 96.0 51.6 97.0 30.2 98.0 11.9 99.0 6.6 109.0 16.7 110.0 17.6 111.0 12.1 112.0 6.8 113.0 3.3 123.0 8.7 124.0 10.4 125.0 5.9 126.0 5.1 127.0 1.9 137.0 6.7 138.0 8.9 139.0 2.5 140.0 3.9 151.0 2.2 152.0 2.8 166.0 7.6 167.0 1.1 168.0 12.2 169.0 2.0 184.0 2.0 194.0 5.3
400 MHz in CDCl3
-
1H NMR 399.65 MHz C14 H28 O 0.047 g : 0.5 ml CDCl3 tetradecanal 
Assign. Shift(ppm)
A 9.765 B 2.418 C 1.628 D 1.33 to 1.27 E 1.26 F 0.879
Hz ppm Int.3904.72 9.771 90 3902.74 9.766 186 3900.91 9.761 94 975.34 2.441 72 973.51 2.436 71 968.02 2.423 131 966.19 2.418 133 960.54 2.404 83 958.71 2.399 87 658.11 1.647 46 650.79 1.629 62 643.46 1.611 46 533.91 1.336 40 519.56 1.301 169 514.68 1.288 150 512.24 1.282 166 503.08 1.259 1000 358.58 0.898 117 351.87 0.881 376 344.70 0.863 148
in CDCl3
KBr disc
nujol mull
