Vinyl butyrate(123-20-6) MS
Product NameVinyl butyrate
CAS123-20-6
Molecular FormulaC6H10O2
Molecular Weight114.14
InChIInChI=1S/C6H10O2/c1-3-5-6(7)8-4-2/h4H,2-3,5H2,1H3
InChIKey MEGHWIAOTJPCHQ-UHFFFAOYSA-N
SmilesC(OC=C)(=O)CCC
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MassMS-NW-1319 vinyl butyrate C6H10O2 (Mass of molecular ion: 114)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
14.0 1.1 15.0 4.7 26.0 2.3 27.0 25.7 28.0 1.6 29.0 4.2 39.0 7.0 40.0 1.1 41.0 28.9 42.0 5.3 43.0 100.0 44.0 6.4 45.0 1.1 55.0 4.2 57.0 17.8 60.0 2.0 69.0 1.1 70.0 1.0 71.0 64.3 72.0 2.8 73.0 1.0 99.0 2.2 114.0 2.1 127.0 2.3
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H10 O2 0.04 ml : 0.5 ml CDCl3 vinyl butyrate 
Assign. Shift(ppm)
A 7.291 B 4.875 C 4.559 D 2.369 E 1.69 F 0.98
Hz ppm Int.663.50 7.409 288 657.19 7.338 312 649.56 7.253 324 643.19 7.182 328 444.00 4.958 329 442.44 4.941 355 430.00 4.802 286 428.44 4.784 317 412.13 4.602 347 410.56 4.585 337 405.75 4.531 346 404.25 4.514 303 220.63 2.464 205 219.63 2.453 205 213.06 2.379 359 212.56 2.374 432 205.94 2.300 330 205.19 2.292 322 163.63 1.828 86 162.75 1.818 122 155.75 1.740 259 154.75 1.728 145 148.69 1.661 183 148.00 1.653 177 147.56 1.648 222 140.81 1.573 152 95.00 1.061 275 94.31 1.054 479 87.44 0.977 1000 86.81 0.970 520 80.56 0.900 196 79.75 0.891 306 78.88 0.881 153
in CDCl3
CCl4 solution
liquid film
