AZELAIC ACID MONOMETHYL ESTER(2104-19-0) Raman
Product NameAZELAIC ACID MONOMETHYL ESTER
CAS2104-19-0
Molecular FormulaC10H18O4
Molecular Weight202.25
InChIInChI=1S/C10H18O4/c1-14-10(13)8-6-4-2-3-5-7-9(11)12/h2-8H2,1H3,(H,11,12)
InChIKey VVWPSAPZUZXYCM-UHFFFAOYSA-N
SmilesC(OC)(=O)CCCCCCCC(O)=O
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MassMS-KW-0502 methyl hydrogen azelate C10H18O4 (Mass of molecular ion: 202)
Source Temperature: 230 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 7.8 18.0 1.5 27.0 9.7 28.0 3.2 29.0 12.2 31.0 4.5 39.0 8.2 40.0 1.8 41.0 30.0 42.0 9.7 43.0 44.5 44.0 2.4 45.0 10.4 53.0 3.2 54.0 2.7 55.0 68.5 56.0 6.5 57.0 7.5 58.0 1.0 59.0 26.4 60.0 11.9 67.0 7.3 68.0 7.5 69.0 27.5 70.0 3.7 71.0 2.1 73.0 8.7 74.0 100.0 75.0 7.3 79.0 2.3 80.0 3.7 81.0 7.6 82.0 9.9 83.0 43.2 84.0 31.8 85.0 3.1 87.0 27.1 88.0 4.9 92.0 1.0 93.0 2.2 95.0 3.3 96.0 9.5 97.0 19.2 98.0 19.4 99.0 2.6 100.0 1.5 101.0 6.6 107.0 2.8 109.0 1.5 110.0 6.1 111.0 36.3 112.0 2.9 113.0 2.2 114.0 3.5 115.0 2.0 123.0 2.0 124.0 22.4 125.0 11.3 126.0 2.5 127.0 1.6 128.0 3.5 129.0 2.6 134.0 1.8 135.0 1.4 137.0 2.7 140.0 1.1 141.0 1.5 143.0 10.0 151.0 1.1 152.0 75.1 153.0 8.4 156.0 3.1 171.0 22.7 172.0 2.4 184.0 1.7 185.0 3.9
400 MHz in CDCl3
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1H NMR 399.65 MHz C10 H18 O4 0.04 ml : 0.5 ml CDCl3 methyl hydrogen azelate 
Assign. Shift(ppm)
A 11. B 3.671 C *1 2.348 D *1 2.308 E 1.65 to 1.610 F 1.42 to 1.260
Hz ppm Int.1467.35 3.672 1000 945.87 2.367 100 938.55 2.349 173 930.85 2.330 129 929.94 2.327 139 922.43 2.309 180 914.92 2.290 119 659.22 1.650 55 658.48 1.648 55 652.44 1.633 85 648.04 1.622 79 645.66 1.616 75 641.63 1.606 50 544.37 1.363 41 533.75 1.336 161 532.83 1.334 161 529.90 1.326 223 526.05 1.317 75 520.38 1.303 40 517.45 1.295 29
in CDCl3
liquid film
