Allyl Nonanoate(7493-72-3) 13C NMR
Product NameAllyl Nonanoate
CAS7493-72-3
Molecular FormulaC12H22O2
Molecular Weight198.3
InChIInChI=1S/C12H22O2/c1-3-5-6-7-8-9-10-12(13)14-11-4-2/h4H,2-3,5-11H2,1H3
InChIKey MFLWLDDOGSNSKO-UHFFFAOYSA-N
SmilesC(OCC=C)(=O)CCCCCCCC
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MassMS-NW-5737 allyl nonanoate C12H22O2 (Mass of molecular ion: 198)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 1.5 26.0 1.3 27.0 16.1 28.0 4.3 29.0 28.1 31.0 1.2 39.0 18.8 40.0 4.0 41.0 100.0 42.0 11.8 43.0 66.7 44.0 2.0 45.0 2.4 53.0 2.6 54.0 14.0 55.0 47.8 56.0 15.4 57.0 75.6 58.0 13.4 59.0 4.0 60.0 2.3 67.0 9.0 68.0 3.2 69.0 26.8 70.0 3.7 71.0 47.5 72.0 3.5 73.0 4.2 74.0 1.6 79.0 1.4 81.0 12.7 82.0 6.6 83.0 7.7 84.0 5.6 85.0 5.0 87.0 2.4 93.0 1.6 95.0 5.6 96.0 1.8 97.0 16.6 98.0 3.9 99.0 5.2 100.0 47.7 101.0 6.9 109.0 1.2 111.0 2.9 112.0 1.5 113.0 21.5 114.0 2.0 115.0 1.4 121.0 3.5 123.0 4.3 127.0 5.6 139.0 5.8 141.0 63.3 142.0 6.0 155.0 3.7 169.0 3.0
90 MHz in CDCl3
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1H NMR 89.56 MHz C12 H22 O2 0.04 ml : 0.5 ml CDCl3 allyl nonanoate 
Assign. Shift(ppm)
A 5.91 B 5.31 C 5.23 D 4.574 E 2.32 F 1.64 G 1.44 to 1.16 J 0.89
Hz ppm Int.551.06 6.153 46 545.44 6.091 85 541.00 6.041 56 539.94 6.029 56 535.38 5.978 102 533.88 5.962 81 530.00 5.918 67 528.13 5.897 134 523.81 5.849 103 522.75 5.837 99 518.13 5.786 176 512.81 5.726 129 485.38 5.420 77 483.88 5.403 188 483.44 5.398 152 482.06 5.383 295 480.63 5.367 137 474.50 5.299 112 473.31 5.285 247 472.56 5.277 105 472.06 5.271 146 471.44 5.264 167 470.31 5.252 85 468.13 5.227 66 466.63 5.211 141 464.81 5.190 136 463.31 5.174 187 462.63 5.166 94 462.00 5.159 105 461.44 5.153 163 460.25 5.140 88 413.56 4.618 252 412.38 4.605 407 411.00 4.590 259 408.06 4.557 217 406.81 4.543 396 405.44 4.528 241 216.63 2.419 107 215.63 2.408 102 211.63 2.363 37 209.00 2.334 274 201.88 2.255 203 201.31 2.248 236 146.31 1.634 93 115.13 1.286 1000 83.81 0.936 140 78.69 0.879 475 72.69 0.812 91
in CDCl3
liquid film
4880 A,200 M,liquid
