NEOPENTYL ALCOHOL(75-84-3) MS
Product NameNEOPENTYL ALCOHOL
CAS75-84-3
Molecular FormulaC5H12O
Molecular Weight88.15
InChIInChI=1S/C5H12O/c1-5(2,3)4-6/h6H,4H2,1-3H3
InChIKey KPSSIOMAKSHJJG-UHFFFAOYSA-N
SmilesC(O)C(C)(C)C
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MassMS-NW-1262 2,2-dimethyl-1-propanol C5H12O (Mass of molecular ion: 88)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 1.6 27.0 9.6 28.0 1.9 29.0 36.2 31.0 10.4 39.0 10.9 40.0 1.4 41.0 45.7 42.0 2.7 43.0 9.0 45.0 7.0 53.0 1.5 55.0 29.6 56.0 36.6 57.0 100.0 58.0 4.4 73.0 22.2
parameter in CDCl3
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1H NMR 300 MHz C5 H12 O 0.046 g : 0.5 ml CDCl3 2,2-dimethyl-1-propanol 
Parameter ppm Hz
D(A) 3.280 D(B) 0.906 D(C) 2.05
Hz ppm Int.984.01 3.280 218 614.70 2.049 77 271.80 0.906 1000
in CDCl3
CCl4 solution
KBr disc
liquid film
nujol mull
