2-Ethylhexyl salicylate(118-60-5) MS
Product Name2-Ethylhexyl salicylate
CAS118-60-5
Molecular FormulaC15H22O3
Molecular Weight250.33
InChIInChI=1S/C15H22O3/c1-3-5-8-12(4-2)11-18-15(17)13-9-6-7-10-14(13)16/h6-7,9-10,12,16H,3-5,8,11H2,1-2H3
InChIKey FMRHJJZUHUTGKE-UHFFFAOYSA-N
SmilesC(OCC(CC)CCCC)(=O)C1=CC=CC=C1O
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MassMS-IW-4193 2-ethylhexyl salicylate C15H22O3 (Mass of molecular ion: 250)
Source Temperature: 230 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 1.8 29.0 5.9 39.0 3.9 41.0 14.0 42.0 3.0 43.0 24.9 53.0 1.0 55.0 13.9 56.0 7.2 57.0 34.6 58.0 1.5 64.0 1.3 65.0 6.9 69.0 6.7 70.0 30.5 71.0 24.1 72.0 1.4 82.0 2.0 83.0 18.9 84.0 7.5 92.0 6.0 93.0 6.6 97.0 1.0 112.0 22.5 113.0 2.7 120.0 100.0 121.0 38.7 122.0 3.3 138.0 85.7 139.0 14.6 140.0 1.3 250.0 11.7 251.0 2.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C15 H22 O3 0.05 ml : 0.5 ml CDCl3 2-ethylhexyl salicylate 
Assign. Shift(ppm)
A 10.88 B 7.824 C 7.428 D 6.970 E 6.864 F *1 4.271 G *1 4.250 J 1.720 K 1.453 L 1.383 M 1.33 N 0.947 P 0.907
Hz ppm Int.4348.74 10.882 742 3132.15 7.838 193 3131.78 7.837 197 3130.50 7.834 197 3124.27 7.818 203 3123.90 7.817 208 3122.44 7.813 207 3122.07 7.813 200 2977.55 7.451 96 2975.72 7.446 93 2970.04 7.432 124 2968.76 7.429 178 2967.48 7.426 122 2961.99 7.412 114 2961.62 7.411 115 2960.15 7.407 109 2790.36 6.983 217 2789.99 6.982 235 2789.26 6.980 242 2781.93 6.961 204 2781.57 6.961 223 2780.83 6.959 223 2751.53 6.885 158 2750.24 6.882 147 2744.20 6.867 187 2743.47 6.865 230 2743.10 6.864 219 2742.37 6.862 180 2736.32 6.847 149 2735.23 6.845 132 1718.65 4.301 63 1712.97 4.287 67 1707.66 4.273 331 1703.81 4.264 359 1702.17 4.260 354 1697.95 4.249 328 1692.82 4.236 65 1687.15 4.222 65 700.43 1.753 35 694.38 1.738 84 688.34 1.723 118 682.11 1.707 98 676.07 1.692 47 597.31 1.495 53 595.84 1.491 54 589.61 1.476 174 588.51 1.473 149 583.20 1.460 168 581.92 1.457 262 575.69 1.441 160 574.59 1.438 197 571.48 1.430 41 568.00 1.422 106 567.27 1.420 103 561.22 1.405 133 558.11 1.397 117 554.81 1.389 171 551.51 1.380 115 548.40 1.373 112 546.75 1.369 103 543.64 1.361 79 538.88 1.349 195 536.86 1.344 189 534.85 1.339 262 533.01 1.334 266 531.92 1.331 308 529.17 1.325 241 527.89 1.321 269 526.60 1.318 218 524.96 1.314 197 523.67 1.311 193 520.56 1.303 93 386.30 0.967 521 378.79 0.948 1000 371.28 0.930 510 369.81 0.926 254 367.07 0.919 163 362.67 0.908 573 357.17 0.894 138 355.34 0.890 190
in CDCl3
liquid film
