Vinyl pivalate(3377-92-2) MS
Product NameVinyl pivalate
CAS3377-92-2
Molecular FormulaC7H12O2
Molecular Weight128.17
InChIInChI=1S/C7H12O2/c1-5-9-6(8)7(2,3)4/h5H,1H2,2-4H3
InChIKey YCUBDDIKWLELPD-UHFFFAOYSA-N
SmilesC(OC=C)(=O)C(C)(C)C
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MassMS-KW-0248 vinyl pivalate C7H12O2 (Mass of molecular ion: 128)
Source Temperature: 230 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 2.1 26.0 1.0 27.0 7.6 28.0 2.9 29.0 20.7 39.0 7.7 40.0 1.5 41.0 36.2 42.0 3.8 43.0 2.3 44.0 1.4 55.0 3.0 56.0 5.6 57.0 100.0 58.0 4.5 67.0 1.0 69.0 2.3 85.0 20.9 86.0 1.2 91.0 1.2
parameter in CDCl3
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1H NMR 300 MHz C7 H12 O2 10.7 mol% in CDCl3 vinyl pivalate 
Parameter ppm Hz
D(A) 7.265 D(B) 4.880 D(C) 4.555 J(A,B) 13.97 J(A,C) 6.31 J(B,C) 1.51 D(D) 1.246
Hz ppm Int.2189.71 7.299 27 2183.45 7.278 28 2175.74 7.252 28 2169.48 7.232 29 1471.69 4.906 30 1470.23 4.901 30 1457.71 4.859 29 1456.25 4.854 29 1370.38 4.568 30 1368.93 4.563 30 1364.06 4.547 30 1362.61 4.542 29 373.82 1.246 1000
in CDCl3
