Azelaic acid(123-99-9) IR2
Product NameAzelaic acid
CAS123-99-9
Molecular FormulaC9H16O4
Molecular Weight188.22
InChIInChI=1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13)
InChIKey BDJRBEYXGGNYIS-UHFFFAOYSA-N
SmilesC(O)(=O)CCCCCCCC(O)=O
-
MassMS-NW-0310 azelaic acid C9H16O4 (Mass of molecular ion: 188)
Source Temperature: 170 °C Sample Temperature: 160 °C Direct, 75 eV
18.0 2.5 26.0 1.5 27.0 20.0 28.0 6.5 29.0 19.3 31.0 4.2 39.0 18.0 40.0 3.3 41.0 52.8 42.0 9.8 43.0 21.7 44.0 1.2 45.0 16.7 51.0 1.2 53.0 5.9 54.0 5.5 55.0 71.6 56.0 8.2 57.0 5.4 58.0 1.7 59.0 8.0 60.0 64.7 61.0 3.2 65.0 1.4 66.0 1.0 67.0 11.8 68.0 14.3 69.0 53.0 70.0 5.7 71.0 3.4 73.0 32.6 74.0 4.7 77.0 1.3 79.0 3.6 80.0 5.2 81.0 11.8 82.0 13.1 83.0 51.1 84.0 64.0 85.0 5.3 86.0 1.5 87.0 10.1 91.0 1.2 92.0 2.0 93.0 3.9 94.0 1.2 95.0 4.5 96.0 11.7 97.0 16.9 98.0 45.4 99.0 4.8 100.0 3.5 101.0 6.4 107.0 2.7 108.0 1.2 109.0 2.3 110.0 8.2 111.0 55.8 112.0 7.8 113.0 1.7 114.0 11.5 115.0 2.0 116.0 1.1 121.0 1.2 123.0 3.1 124.0 31.6 125.0 5.1 126.0 8.0 127.0 2.6 128.0 3.1 129.0 12.3 130.0 1.1 134.0 2.0 135.0 1.5 137.0 3.7 138.0 1.6 139.0 2.1 142.0 1.8 144.0 1.1 151.0 1.2 152.0 100.0 153.0 10.3 154.0 1.0 171.0 3.2
90 MHz in DMSO-d6
-
1H NMR 89.56 MHz C9 H16 O4 0.039 g : 0.5 ml DMSO-d6 azelaic acid 
Assign. Shift(ppm)
A 11.91 B 2.19 C 1.49 D 1.40 to 1.08
Hz ppm Int.1066.32 11.907 492 203.54 2.273 306 202.86 2.266 303 196.19 2.191 952 189.44 2.116 595 147.66 1.649 74 147.49 1.647 74 146.97 1.642 77 146.03 1.631 75 145.35 1.623 82 139.79 1.561 227 138.94 1.552 219 137.57 1.537 210 133.22 1.488 347 130.22 1.454 273 128.77 1.438 280 127.92 1.429 284 127.23 1.421 293 126.81 1.416 293 126.46 1.413 292 124.50 1.391 268 123.73 1.382 271 112.96 1.262 1000
DMSO-d6
KBr disc
nujol mull
4880 A,200 M,powder
