2,2-PENTAMETHYLENE-1,3-DIOXOLANE(177-10-6) MS
Product Name2,2-PENTAMETHYLENE-1,3-DIOXOLANE
CAS177-10-6
Molecular FormulaC8H14O2
Molecular Weight142.2
InChIInChI=1S/C8H14O2/c1-2-4-8(5-3-1)9-6-7-10-8/h1-7H2
InChIKey GZGPRZYZKBQPBQ-UHFFFAOYSA-N
SmilesO1C2(CCCCC2)OCC1
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MassMS-NW-7541 2,2-pentamethylene-1,3-dioxolane C8H14O2 (Mass of molecular ion: 142)
Source Temperature: 260 °C Sample Temperature: 170 °C Reservoir, 75 eV
15.0 1.8 26.0 1.1 27.0 8.2 28.0 3.8 29.0 3.0 39.0 8.0 40.0 1.6 41.0 14.2 42.0 13.2 43.0 6.4 45.0 1.2 53.0 2.2 54.0 2.3 55.0 23.1 56.0 1.9 67.0 2.8 69.0 2.0 70.0 1.5 79.0 1.2 81.0 2.1 83.0 1.1 84.0 2.6 86.0 20.5 87.0 1.0 97.0 2.0 98.0 1.4 99.0 100.0 100.0 7.6 111.0 1.2 112.0 1.7 113.0 10.6 142.0 7.7
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H14 O2 0.05 ml : 0.5 ml CDCl3 2,2-pentamethylene-1,3-dioxolane 
Assign. Shift(ppm)
A 3.93 B 1.62 to 1.57 C 1.41
Hz ppm Int.1572.02 3.934 1000 650.39 1.628 58 647.46 1.621 65 641.60 1.606 212 637.94 1.597 657 634.89 1.589 561 625.85 1.566 54 622.92 1.559 34 566.65 1.418 63 563.60 1.411 77 561.04 1.404 80 557.74 1.396 70 551.88 1.381 29
in CDCl3
liquid film
