2-Allyloxyethanol(111-45-5) MS
Product Name2-Allyloxyethanol
CAS111-45-5
Molecular FormulaC5H10O2
Molecular Weight102.13
InChIInChI=1S/C5H10O2/c1-2-4-7-5-3-6/h2,6H,1,3-5H2
InChIKey GCYHRYNSUGLLMA-UHFFFAOYSA-N
SmilesC(O)COCC=C
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MassMS-NW-1061 2-(allyloxy)ethanol C5H10O2 (Mass of molecular ion: 102)
Source Temperature: 240 °C Sample Temperature: 170 °C Reservoir, 75 eV
15.0 3.7 18.0 1.7 19.0 3.8 26.0 2.3 27.0 12.3 28.0 2.6 29.0 10.3 30.0 1.9 31.0 30.8 33.0 1.5 38.0 1.7 39.0 22.1 40.0 3.6 41.0 100.0 42.0 17.1 43.0 8.6 44.0 7.4 45.0 60.7 46.0 1.6 54.0 1.0 55.0 3.7 56.0 2.5 57.0 16.6 58.0 42.4 59.0 9.1 61.0 1.8 71.0 14.7 73.0 4.4 75.0 2.5 83.0 1.3 85.0 1.2 89.0 3.9
90 MHz in CDCl3
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1H NMR 89.56 MHz C5 H10 O2 0.04 ml : 0.5 ml CDCl3 2-(allyloxy)ethanol 
Assign. Shift(ppm)
A 5.91 B 5.29 C 5.20 D 4.035 E 3.88 to 3.46 F 2.8
Hz ppm Int.535.69 5.982 191 528.44 5.901 243 523.88 5.850 197 523.00 5.840 161 518.38 5.789 326 513.00 5.729 200 483.63 5.401 162 482.13 5.384 350 481.50 5.377 351 480.13 5.361 495 478.75 5.346 256 472.25 5.274 263 471.06 5.260 463 470.00 5.248 361 469.00 5.237 303 467.94 5.225 164 466.31 5.207 149 464.88 5.191 258 464.19 5.184 200 462.75 5.167 300 461.13 5.149 376 460.19 5.139 281 459.06 5.126 276 457.88 5.113 151 365.31 4.079 681 364.13 4.066 1000 362.75 4.051 600 361.50 4.037 151 359.81 4.018 659 358.56 4.004 1000 357.19 3.989 578 340.25 3.800 179 339.81 3.795 197 335.25 3.744 388 334.88 3.740 392 334.56 3.736 394 334.13 3.731 395 331.00 3.696 742 329.63 3.681 795 329.06 3.675 791 327.88 3.662 577 326.69 3.648 817 326.00 3.641 820 322.81 3.605 885 322.00 3.596 902 320.38 3.578 322 319.31 3.566 610 318.13 3.553 515 317.44 3.545 541 316.50 3.534 362 315.06 3.518 186 314.00 3.507 314 312.56 3.490 248
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
