Pivalic acid (75-98-9) MS
Product NamePivalic acid
CAS75-98-9
Molecular FormulaC5H10O2
Molecular Weight102.13
InChIInChI=1S/C5H10O2/c1-5(2,3)4(6)7/h1-3H3,(H,6,7)
InChIKey IUGYQRQAERSCNH-UHFFFAOYSA-N
SmilesC(O)(=O)C(C)(C)C
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MassMS-NW-1453 pivalic acid C5H10O2 (Mass of molecular ion: 102)
Source Temperature: 240 °C Sample Temperature: 170 °C Reservoir, 75 eV
15.0 2.0 27.0 8.1 28.0 1.3 29.0 29.3 31.0 1.8 38.0 1.2 39.0 10.0 40.0 1.4 41.0 43.7 42.0 2.5 43.0 3.0 45.0 3.9 55.0 2.6 56.0 6.1 57.0 100.0 58.0 4.5 59.0 5.7 69.0 1.3 87.0 4.8 102.0 1.8
parameter in CDCl3
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1H NMR 300 MHz C5 H10 O2 0.048 g : 0.5 ml CDCl3 pivalic acid 
Parameter ppm Hz
D(A) 11.49 D(B) 1.233
Hz ppm Int.369.92 1.233 1000
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,
