Isobutylene oxide(558-30-5) 13C NMR
Product NameIsobutylene oxide
CAS558-30-5
Molecular FormulaC4H8O
Molecular Weight72.11
InChIInChI=1S/C4H8O/c1-4(2)3-5-4/h3H2,1-2H3
InChIKey GELKGHVAFRCJNA-UHFFFAOYSA-N
SmilesO1CC1(C)C
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MassMS-NW-1577 2,2-dimethyloxirane C4H8O (Mass of molecular ion: 72)
Source Temperature: 250 °C Sample Temperature: 170 °C Reservoir, 75 eV
14.0 1.4 15.0 5.0 18.0 2.8 26.0 4.0 27.0 35.7 28.0 3.1 29.0 15.2 31.0 6.7 37.0 2.3 38.0 4.1 39.0 25.8 40.0 17.4 41.0 100.0 42.0 77.4 43.0 48.9 44.0 2.9 45.0 1.9 53.0 1.2 55.0 1.1 57.0 8.3 71.0 1.3 72.0 49.6 73.0 2.4
parameter in CCl4 or CDCl3
90 MHz in CDCl3
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1H NMR 300 MHz C4 H8 O 10 % in CCl4 or CDCl3 2,2-dimethyloxirane 
Parameter ppm Hz
D(A) 2.42 D(B) 1.26 ALLEN,G. ET AL. J.CHEM.SOC. 1965, 810
Hz ppm Int.726.00 2.420 333 378.00 1.260 1000
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1H NMR 89.56 MHz C4 H8 O 0.04 ml : 0.5 ml CDCl3 2,2-dimethyloxirane Assign. Shift(ppm)
A 2.606 B 1.336
Hz ppm Int.233.50 2.608 272 119.69 1.337 1000
in CDCl3
CCl4 solution
liquid film
