ALLYL N-VALERATE(6321-45-5) MS
Product NameALLYL N-VALERATE
CAS6321-45-5
Molecular FormulaC8H14O2
Molecular Weight142.2
InChIInChI=1S/C8H14O2/c1-3-5-6-8(9)10-7-4-2/h4H,2-3,5-7H2,1H3
InChIKey PWYXVVREDGESBB-UHFFFAOYSA-N
SmilesC(OCC=C)(=O)CCCC
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MassMS-NW-5725 allyl valerate C8H14O2 (Mass of molecular ion: 142)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 1.9 26.0 2.3 27.0 14.5 28.0 5.9 29.0 35.2 30.0 1.3 31.0 2.1 38.0 1.3 39.0 18.0 40.0 3.1 41.0 72.2 42.0 4.1 43.0 8.3 44.0 1.1 45.0 1.6 54.0 4.1 55.0 18.4 56.0 6.1 57.0 92.2 58.0 6.2 59.0 5.5 60.0 4.8 73.0 2.7 82.0 1.9 83.0 5.4 84.0 1.5 85.0 100.0 86.0 6.0 99.0 1.3 100.0 15.5 101.0 2.3 103.0 2.4 113.0 2.7
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H14 O2 0.04 ml : 0.5 ml CDCl3 allyl valerate 
Assign. Shift(ppm)
A 5.91 B 5.32 C 5.23 D 4.576 E 2.34 F 1.62 G 1.36 J 0.93 J(A,B)=17.3HZ. J(A,C)=10.0HZ. J(A,D)=5.5HZ.
Hz ppm Int.551.23 6.155 57 545.59 6.092 106 541.15 6.043 77 540.12 6.031 64 535.60 5.981 131 534.06 5.964 99 530.21 5.921 78 528.33 5.900 176 523.97 5.851 128 522.95 5.840 115 518.33 5.788 232 512.95 5.728 151 485.44 5.421 101 484.07 5.405 244 483.73 5.402 247 482.19 5.384 363 480.82 5.369 169 474.58 5.300 148 473.47 5.287 295 472.28 5.274 215 471.68 5.267 212 470.48 5.254 110 468.35 5.230 82 466.81 5.213 176 465.01 5.193 208 463.39 5.175 241 461.60 5.155 194 460.40 5.141 100 413.75 4.620 373 412.46 4.606 625 411.18 4.592 363 408.19 4.558 336 406.99 4.545 587 405.63 4.530 327 217.47 2.429 199 216.53 2.418 204 213.45 2.384 50 209.95 2.345 513 206.27 2.304 57 205.93 2.300 55 202.43 2.261 405 161.41 1.803 52 160.39 1.791 71 153.98 1.720 190 151.42 1.691 150 149.28 1.667 79 147.14 1.643 204 145.86 1.629 212 145.52 1.625 212 144.07 1.609 161 139.03 1.553 273 135.69 1.516 143 131.85 1.473 236 128.60 1.436 77 125.18 1.398 196 123.82 1.383 189 121.77 1.360 89 119.46 1.334 169 117.07 1.308 214 113.56 1.268 81 110.66 1.236 187 104.08 1.163 89 88.61 0.990 552 84.85 0.948 66 82.29 0.919 1000 76.14 0.851 176 74.77 0.835 220 72.97 0.815 111
in CDCl3
liquid film
4880 A,200 M,liquid
