ALLYL BUTYRATE(2051-78-7) IR1
Product NameALLYL BUTYRATE
CAS2051-78-7
Molecular FormulaC7H12O2
Molecular Weight128.17
InChIInChI=1S/C7H12O2/c1-3-5-7(8)9-6-4-2/h4H,2-3,5-6H2,1H3
InChIKey RMZIOVJHUJAAEY-UHFFFAOYSA-N
SmilesC(OCC=C)(=O)CCC
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MassMS-NW-3743 allyl butyrate C7H12O2 (Mass of molecular ion: 128)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 2.6 26.0 1.9 27.0 17.6 28.0 2.4 29.0 3.6 31.0 1.4 38.0 1.6 39.0 16.7 40.0 3.2 41.0 57.3 42.0 5.9 43.0 85.4 44.0 3.1 45.0 3.4 55.0 3.3 57.0 7.6 58.0 1.9 60.0 1.2 68.0 1.1 69.0 1.2 70.0 1.6 71.0 100.0 72.0 5.2 89.0 2.7 100.0 2.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C7 H12 O2 0.04 ml : 0.5 ml CDCl3 allyl butyrate 
Assign. Shift(ppm)
A 5.906 B 5.32 C 5.23 D 4.578 E 2.310 F 1.667 G 0.963
Hz ppm Int.551.25 6.156 46 545.56 6.092 80 541.13 6.043 59 540.06 6.031 52 535.50 5.980 93 534.00 5.963 81 530.13 5.920 64 528.31 5.899 123 523.94 5.851 106 522.88 5.839 94 518.25 5.787 164 512.94 5.728 127 485.44 5.421 80 483.94 5.404 197 483.50 5.399 157 482.13 5.384 276 480.75 5.368 129 474.38 5.297 114 473.19 5.284 241 472.44 5.276 117 472.00 5.271 149 471.38 5.264 159 470.25 5.251 77 468.25 5.229 63 466.69 5.211 139 464.88 5.191 128 463.19 5.172 166 462.56 5.165 95 461.94 5.158 109 461.38 5.152 146 460.19 5.139 78 414.00 4.623 264 412.81 4.610 429 411.44 4.595 252 408.50 4.562 231 407.19 4.547 412 405.81 4.532 237 215.69 2.409 177 214.69 2.398 176 207.69 2.320 380 206.00 2.301 48 201.00 2.245 319 200.31 2.237 290 168.06 1.877 57 161.44 1.803 99 160.56 1.793 130 153.56 1.715 267 152.56 1.704 144 146.56 1.637 189 145.81 1.629 182 145.31 1.623 220 140.00 1.564 62 138.69 1.549 163 131.88 1.473 54 93.31 1.042 251 92.63 1.035 490 87.31 0.975 36 85.69 0.957 1000 85.06 0.950 546 78.88 0.881 175 78.06 0.872 293 77.06 0.861 135
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
