Tridecanoic acid(638-53-9) 1H NMR
Product NameTridecanoic acid
CAS638-53-9
Molecular FormulaC13H26O2
Molecular Weight214.34
InChIInChI=1S/C13H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-12H2,1H3,(H,14,15)
InChIKey SZHOJFHSIKHZHA-UHFFFAOYSA-N
SmilesC(O)(=O)CCCCCCCCCCCC
-
MassMS-NW-2245 tridecanoic acid C13H26O2 (Mass of molecular ion: 214)
Source Temperature: 290 °C Sample Temperature: 170 °C Reservoir, 75 eV
18.0 4.3 27.0 12.4 28.0 4.3 29.0 23.1 31.0 1.0 32.0 1.1 39.0 8.0 40.0 1.5 41.0 40.8 42.0 9.6 43.0 57.5 44.0 2.0 45.0 4.3 53.0 2.6 54.0 3.3 55.0 36.3 56.0 11.0 57.0 56.5 58.0 2.5 59.0 3.2 60.0 92.1 61.0 18.9 67.0 3.8 68.0 3.9 69.0 23.8 70.0 8.4 71.0 29.9 72.0 1.7 73.0 100.0 74.0 8.2 79.0 1.1 81.0 3.0 82.0 3.7 83.0 14.3 84.0 9.3 85.0 24.3 86.0 1.9 87.0 15.1 88.0 1.4 95.0 2.0 96.0 3.2 97.0 10.7 98.0 11.5 99.0 9.3 101.0 6.6 102.0 2.4 110.0 1.7 111.0 5.5 112.0 3.3 113.0 4.2 115.0 16.9 116.0 3.1 124.0 1.5 125.0 2.6 126.0 1.8 129.0 34.1 130.0 3.1 143.0 3.9 152.0 4.4 154.0 3.5 155.0 2.8 157.0 4.0 171.0 23.5 172.0 2.8 185.0 8.0 186.0 1.2 214.0 19.1 215.0 2.7
90 MHz in CDCl3
-
1H NMR 89.56 MHz C13 H26 O2 0.042 g : 0.5 ml CDCl3 tridecanoic acid 
Assign. Shift(ppm)
A 11. B 2.33 C 1.63 D 1.26 E 0.88
Hz ppm Int.217.98 2.434 23 216.87 2.422 26 210.29 2.349 68 202.69 2.264 57 146.29 1.634 24 145.95 1.630 24 144.92 1.619 23 127.32 1.422 23 112.88 1.261 1000 83.83 0.937 39 82.29 0.919 34 81.86 0.915 33 81.18 0.907 32 78.87 0.881 130 72.89 0.814 28 72.63 0.811 28
in CDCl3
CCl4 solution
KBr disc
nujol mull
4880 A,200 M,powder
