Pivaldehyde(630-19-3) 13C NMR
Product NamePivaldehyde
CAS630-19-3
Molecular FormulaC5H10O
Molecular Weight86.13
InChIInChI=1S/C5H10O/c1-5(2,3)4-6/h4H,1-3H3
InChIKey FJJYHTVHBVXEEQ-UHFFFAOYSA-N
SmilesC(=O)C(C)(C)C
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MassMS-NW-5375 pivalaldehyde C5H10O (Mass of molecular ion: 86)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 2.3 18.0 3.0 26.0 1.7 27.0 16.4 28.0 3.2 29.0 51.5 30.0 1.1 32.0 1.0 37.0 1.1 38.0 2.5 39.0 19.4 40.0 2.6 41.0 83.5 42.0 8.8 43.0 26.6 50.0 1.2 51.0 1.3 53.0 2.1 55.0 5.5 56.0 2.8 57.0 100.0 58.0 5.2 59.0 1.5 71.0 1.6 86.0 18.1 87.0 3.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C5 H10 O 0.04 ml : 0.5 ml CDCl3 pivalaldehyde 
Assign. Shift(ppm)
A 9.48 B 1.08
Hz ppm Int.848.95 9.480 174 96.83 1.082 1000
in CDCl3
liquid film
4880 A,200 M,liquid
