3-ALLYLOXY-1,2-PROPANEDIOL(123-34-2) Raman
Product Name3-ALLYLOXY-1,2-PROPANEDIOL
CAS123-34-2
Molecular FormulaC6H12O3
Molecular Weight132.16
InChIInChI=1S/C6H12O3/c1-2-3-9-5-6(8)4-7/h2,6-8H,1,3-5H2
InChIKey PAKCOSURAUIXFG-UHFFFAOYSA-N
SmilesC(O)C(O)COCC=C
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MassMS-NW-1228 3-allyloxy-1,2-propanediol C6H12O3 (Mass of molecular ion: 132)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 9.9 18.0 1.6 19.0 5.9 26.0 1.4 27.0 7.9 28.0 4.0 29.0 9.2 30.0 1.6 31.0 22.5 38.0 1.0 39.0 16.9 40.0 2.7 41.0 100.0 42.0 11.9 43.0 34.7 44.0 11.9 45.0 8.8 55.0 5.8 56.0 4.8 57.0 22.3 58.0 23.8 59.0 3.5 60.0 2.5 61.0 33.8 69.0 1.7 71.0 19.2 72.0 2.4 73.0 2.7 74.0 6.8 75.0 6.7 83.0 5.9 84.0 3.4 101.0 5.6
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H12 O3 0.04 ml : 0.5 ml CDCl3 3-allyloxy-1,2-propanediol 
Assign. Shift(ppm)
A 5.884 B 5.28 C 5.20 D 4.020 E 3.84 F *1 3.66 G *1 3.60 J *1 3.521 K *1 3.46 L 3.35
Hz ppm Int.549.25 6.133 49 543.69 6.071 99 539.31 6.022 66 538.19 6.010 58 533.69 5.960 123 531.94 5.940 88 528.38 5.900 66 526.31 5.877 170 521.94 5.828 117 520.88 5.816 102 516.38 5.766 220 511.00 5.706 129 482.50 5.388 83 481.00 5.371 208 480.31 5.363 183 479.00 5.349 308 477.63 5.334 148 472.25 5.274 136 471.06 5.260 283 470.00 5.248 199 469.06 5.238 173 467.94 5.225 86 465.13 5.194 67 463.69 5.178 153 462.25 5.162 170 461.63 5.155 207 461.13 5.149 221 460.19 5.139 211 459.06 5.126 181 457.94 5.114 91 363.81 4.063 422 362.69 4.050 604 361.31 4.035 344 358.38 4.002 372 357.13 3.988 573 355.75 3.973 324 327.63 3.659 345 315.31 3.521 1000 310.63 3.469 489 309.75 3.459 407
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
