Butyl acrylate(141-32-2) 13C NMR
Product NameButyl acrylate
CAS141-32-2
Molecular FormulaC7H12O2
Molecular Weight128.17
InChIInChI=1S/C7H12O2/c1-3-5-6-9-7(8)4-2/h4H,2-3,5-6H2,1H3
InChIKey CQEYYJKEWSMYFG-UHFFFAOYSA-N
SmilesC(OCCCC)(=O)C=C
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MassMS-NW-5515 butyl acrylate C7H12O2 (Mass of molecular ion: 128)
Source Temperature: 240 °C Sample Temperature: 190 °C Reservoir, 75 eV
26.0 3.1 27.0 24.9 28.0 4.6 29.0 10.6 31.0 2.3 39.0 4.1 41.0 17.8 42.0 1.5 43.0 3.0 55.0 100.0 56.0 51.4 57.0 5.0 68.0 1.5 69.0 1.5 70.0 1.5 73.0 36.8 74.0 1.4 85.0 7.2 99.0 1.5
90 MHz in CDCl3
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1H NMR 89.56 MHz C7 H12 O2 12.2 mol% in CDCl3 butyl acrylate 
Assign. Shift(ppm)
A 0.96 B 1.41 C 1.65 D 4.158 E 5.795 F 6.108 G 6.364 J(E,F):9.6 HZ J(F,G):16.8 HZ J(E,G):2.7 HZ
Hz ppm Int.584.44 6.526 158 581.69 6.495 195 567.56 6.338 625 564.81 6.307 660 561.31 6.268 52 559.19 6.244 533 549.50 6.136 746 546.75 6.105 61 542.31 6.056 60 532.63 5.948 330 524.25 5.854 546 521.50 5.823 519 518.75 5.793 33 518.31 5.788 32 518.00 5.784 30 517.38 5.777 31 514.63 5.747 301 511.81 5.715 252 379.25 4.235 374 372.88 4.164 939 366.38 4.091 515 164.00 1.832 32 162.13 1.811 52 155.75 1.740 142 153.56 1.715 113 151.56 1.693 94 149.13 1.666 282 147.00 1.642 197 142.25 1.589 327 139.94 1.563 223 136.13 1.520 290 133.06 1.486 104 131.63 1.470 182 130.06 1.453 231 128.31 1.433 226 124.38 1.389 196 121.50 1.357 221 119.88 1.339 126 118.94 1.329 101 118.13 1.320 105 115.06 1.285 190 111.63 1.247 44 111.19 1.242 43 110.25 1.232 46 108.56 1.213 87 104.69 1.169 31 91.19 1.019 504 84.75 0.947 1000 78.56 0.878 219 77.31 0.864 254 75.44 0.843 141 72.81 0.813 44
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
