3-METHOXY-1,2-PROPANEDIOL(36887-04-4) MS
Product Name3-METHOXY-1,2-PROPANEDIOL
CAS36887-04-4
Molecular FormulaC4H10O3
Molecular Weight106.12
InChIInChI=1S/C4H10O3/c1-7-3-4(6)2-5/h4-6H,2-3H2,1H3
InChIKey PSJBSUHYCGQTHZ-UHFFFAOYSA-N
SmilesC(O)(CO)COC
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MassMS-NW-2950 3-methoxy-1,2-propanediol C4H10O3 (Mass of molecular ion: 106)
Source Temperature: 270 °C Sample Temperature: 180 °C Reservoir, 75 eV
14.0 1.0 15.0 21.2 18.0 2.2 19.0 2.8 26.0 1.0 27.0 4.9 28.0 4.6 29.0 13.8 30.0 1.4 31.0 22.4 32.0 1.1 33.0 10.8 42.0 2.7 43.0 43.0 44.0 32.9 45.0 100.0 46.0 4.0 47.0 5.1 55.0 1.1 56.0 1.5 57.0 3.2 58.0 2.5 59.0 1.4 60.0 6.8 61.0 21.5 63.0 2.0 71.0 1.1 74.0 4.2 75.0 35.7 76.0 8.5 87.0 1.1 88.0 4.6
90 MHz in CDCl3
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1H NMR 89.56 MHz C4 H10 O3 9.7 mol% in CDCl3 3-methoxy-1,2-propanediol 
Assign. Shift(ppm)
A 3.379 B *1 3.46 C *1 3.41 D *2 3.56 E *2 3.65 F 3.86 G 3.95
Hz ppm Int.353.31 3.945 197 347.31 3.878 28 345.31 3.856 23 341.44 3.813 24 340.56 3.803 23 326.44 3.645 85 324.94 3.629 94 322.94 3.606 69 318.75 3.560 49 315.56 3.524 28 310.13 3.463 212 306.94 3.428 32 305.06 3.407 136 302.63 3.380 1000
in CDCl3
liquid film
4880 A,200 M,liquid
