4-METHYL-1,3-DIOXANE(1120-97-4) 13C NMR
Product Name4-METHYL-1,3-DIOXANE
CAS1120-97-4
Molecular FormulaC5H10O2
Molecular Weight102.13
InChIInChI=1S/C5H10O2/c1-5-2-3-6-4-7-5/h5H,2-4H2,1H3
InChIKey INCCMBMMWVKEGJ-UHFFFAOYSA-N
SmilesO1CCC(C)OC1
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MassMS-NW-1123 4-methyl-1,3-dioxane C5H10O2 (Mass of molecular ion: 102)
Source Temperature: 240 °C Sample Temperature: 170 °C Reservoir, 75 eV
15.0 5.2 18.0 2.7 19.0 1.3 26.0 3.7 27.0 20.5 28.0 38.4 29.0 21.0 30.0 11.3 31.0 47.6 32.0 2.8 38.0 1.4 39.0 11.6 40.0 3.7 41.0 22.8 42.0 37.0 43.0 100.0 44.0 16.1 45.0 40.3 53.0 1.3 55.0 67.3 56.0 3.1 57.0 22.6 58.0 17.2 59.0 2.0 71.0 4.8 72.0 59.7 73.0 3.0 87.0 19.3 101.0 73.4 102.0 4.4
400 MHz in CDCl3
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1H NMR 399.65 MHz C5 H10 O2 0.05 ml : 0.5 ml CDCl3 4-methyl-1,3-dioxane 
Assign. Shift(ppm)
A 5.027 B 4.699 C 4.078 D 3.73 E 3.70 F 1.736 G 1.479 J 1.231
Hz ppm Int.2012.33 5.036 181 2005.98 5.020 202 1881.23 4.708 423 1875.00 4.692 398 1638.55 4.100 87 1633.54 4.088 88 1627.08 4.072 102 1625.85 4.069 68 1623.29 4.062 65 1622.07 4.059 102 1494.51 3.740 67 1492.31 3.735 128 1489.75 3.728 149 1488.40 3.725 84 1485.96 3.719 70 1483.64 3.713 77 1479.98 3.704 186 1477.42 3.697 195 1468.63 3.675 101 1466.06 3.669 98 715.21 1.790 48 710.33 1.778 49 704.22 1.763 51 702.88 1.759 58 701.90 1.757 71 699.22 1.750 52 697.88 1.747 57 697.02 1.745 70 691.89 1.732 55 690.92 1.729 72 689.58 1.726 70 687.01 1.720 56 685.91 1.717 71 684.69 1.714 65 678.59 1.698 62 673.71 1.686 60 600.83 1.504 41 599.85 1.501 53 599.24 1.500 58 598.39 1.498 115 597.41 1.495 105 596.80 1.494 105 595.83 1.491 125 594.85 1.489 68 593.38 1.485 51 587.40 1.470 40 586.55 1.468 48 585.94 1.467 51 584.96 1.464 97 583.98 1.462 86 583.50 1.461 84 582.52 1.458 98 581.54 1.456 52 580.93 1.454 45 580.08 1.452 38 495.36 1.240 961 489.01 1.224 1000
in CDCl3
liquid film
4880 A,200 M,liquid
