ALLYL ISOVALERATE(2835-39-4) MS
Product NameALLYL ISOVALERATE
CAS2835-39-4
Molecular FormulaC8H14O2
Molecular Weight142.2
InChIInChI=1S/C8H14O2/c1-4-5-10-8(9)6-7(2)3/h4,7H,1,5-6H2,2-3H3
InChIKey HOMAGVUCNZNWBC-UHFFFAOYSA-N
SmilesC(OCC=C)(=O)CC(C)C
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MassMS-NW-5736 allyl isovalerate C8H14O2 (Mass of molecular ion: 142)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 2.5 26.0 1.4 27.0 12.5 28.0 3.3 29.0 23.9 31.0 1.7 38.0 1.7 39.0 21.9 40.0 4.1 41.0 92.9 42.0 6.4 43.0 19.1 44.0 1.1 45.0 1.4 54.0 5.2 55.0 13.4 56.0 7.2 57.0 96.4 58.0 6.9 59.0 18.1 60.0 2.4 61.0 1.7 67.0 1.2 69.0 4.9 71.0 2.4 72.0 1.0 81.0 1.7 82.0 2.5 83.0 1.5 85.0 100.0 86.0 5.7 99.0 1.8 100.0 14.6 101.0 1.7 103.0 1.9
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H14 O2 0.04 ml : 0.5 ml CDCl3 allyl isovalerate 
Assign. Shift(ppm)
A 5.90 B 5.33 C 5.23 D 4.577 E 2.20 F 2.12 G 0.97
Hz ppm Int.551.31 6.156 36 545.63 6.093 62 541.25 6.044 44 540.13 6.031 43 535.56 5.980 73 534.06 5.964 63 530.19 5.920 51 528.38 5.900 99 524.00 5.851 79 522.94 5.839 77 518.31 5.788 129 513.00 5.729 99 485.75 5.424 62 484.31 5.408 138 483.81 5.403 114 482.44 5.387 213 481.06 5.372 102 474.56 5.299 87 473.38 5.286 187 472.63 5.278 82 472.19 5.273 111 471.56 5.266 124 470.44 5.253 63 468.56 5.232 49 467.06 5.216 107 465.25 5.195 89 464.63 5.188 62 463.81 5.179 70 463.38 5.174 122 462.69 5.167 68 462.13 5.161 78 461.56 5.154 115 460.38 5.141 63 413.94 4.622 196 412.75 4.609 310 411.38 4.594 199 408.44 4.561 169 407.13 4.546 311 405.75 4.531 191 204.00 2.278 45 203.50 2.273 42 201.38 2.249 94 200.81 2.243 114 200.06 2.234 104 198.00 2.211 314 196.38 2.193 322 194.13 2.168 105 190.19 2.124 43 189.81 2.120 40 189.31 2.114 36 188.63 2.107 58 183.38 2.048 41 182.69 2.040 33 89.63 1.001 1000 88.38 0.987 359 86.75 0.969 244 86.00 0.961 221 84.25 0.941 287 83.06 0.928 826
in CDCl3
liquid film
4880 A,200 M,liquid
