2,6-Dimethyl-4H-pyran-4-one(1004-36-0) IR1
Product Name2,6-Dimethyl-4H-pyran-4-one
CAS1004-36-0
Molecular FormulaC7H8O2
Molecular Weight124.14
InChIInChI=1S/C7H8O2/c1-5-3-7(8)4-6(2)9-5/h3-4H,1-2H3
InChIKey VSYFZULSKMFUJJ-UHFFFAOYSA-N
SmilesC1(C)OC(C)=CC(=O)C=1
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MassMS-NW-1676 2,6-dimethyl-4-pyrone C7H8O2 (Mass of molecular ion: 124)
Source Temperature: 240 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 6.3 18.0 1.2 26.0 2.9 27.0 6.9 28.0 4.9 29.0 1.3 37.0 2.1 38.0 5.0 39.0 14.5 40.0 2.8 41.0 4.2 42.0 8.0 43.0 100.0 44.0 2.4 50.0 2.2 51.0 2.6 52.0 1.1 53.0 8.6 54.0 1.1 55.0 1.2 56.0 4.0 67.0 2.9 68.0 1.4 69.0 51.6 70.0 1.7 81.0 20.4 82.0 1.6 84.0 6.9 85.0 3.2 95.0 27.1 96.0 21.2 97.0 1.4 109.0 1.5 124.0 94.6 125.0 7.8
90 MHz in CDCl3
parameter in CDCl3
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1H NMR 89.56 MHz C7 H8 O2 0.046 g : 0.5 ml CDCl3 2,6-dimethyl-4-pyrone 
Assign. Shift(ppm)
A 6.043 B 2.247
Hz ppm Int.541.25 6.044 263 201.44 2.250 1000
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1H NMR 300 MHz C7 H8 O2 in CDCl3 2,6-dimethyl-4-pyrone Parameter ppm Hz
D(A) 6.04 D(B) 2.25 J(A,B) 0.35 MATHIS,C.T. & GOLDSTEIN,J.H. SPECTROCHIM.ACTA 20, 871 (1964)
Hz ppm Int.1811.99 6.040 284 675.03 2.250 1000
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
