Dehydroacetic acid(16807-48-0) 1H NMR
Product NameDehydroacetic acid
CAS16807-48-0
Molecular FormulaC8H8O4
Molecular Weight168.15
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MassMS-NW-4803 3-acetyl-6-methyl-2H-pyran-2,4(3H)-dione C8H8O4 (Mass of molecular ion: 168)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 7.1 26.0 1.6 27.0 4.5 28.0 3.9 29.0 2.8 37.0 1.6 38.0 2.5 39.0 6.7 40.0 1.5 41.0 2.6 42.0 4.5 43.0 100.0 44.0 2.6 50.0 1.1 51.0 1.4 53.0 3.7 54.0 1.4 55.0 5.6 66.0 1.2 67.0 2.8 69.0 17.5 70.0 1.5 84.0 10.3 85.0 48.9 86.0 2.1 97.0 1.8 98.0 12.2 111.0 9.6 125.0 19.8 126.0 2.9 140.0 3.6 153.0 41.1 154.0 3.2 168.0 59.4 169.0 5.6
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H8 O4 0.051 g : 0.5 ml CDCl3 3-acetyl-6-methyl-2H-pyran-2,4(3H)-dione 
Assign. Shift(ppm)
A 16.69 B 5.950 C 2.666 D 2.284 J(B,D)=-0.8HZ
Hz ppm Int.1494.86 16.692 303 533.35 5.956 162 532.58 5.947 166 238.87 2.668 1000 235.90 2.634 33 205.01 2.290 615 204.24 2.281 594
in CDCl3
KBr disc
nujol mull
