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3-ETHYL-2,4-PENTANEDIONE(1540-34-7) MS
Product Name3-ETHYL-2,4-PENTANEDIONE
CAS1540-34-7
Molecular FormulaC7H12O2
Molecular Weight128.17
InChIInChI=1S/C7H12O2/c1-4-7(5(2)8)6(3)9/h7H,4H2,1-3H3
InChIKey GUARKOVVHJSMRW-UHFFFAOYSA-N
SmilesCC(=O)C(CC)C(=O)C
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MassMS-IW-3476 3-ethyl-2,4-pentanedione C7H12O2 (Mass of molecular ion: 128)
Source Temperature: 210 °C Sample Temperature: 160 °C Reservoir, 75 eV
15.0 7.1 26.0 1.1 27.0 6.9 28.0 1.7 29.0 3.9 38.0 1.2 39.0 8.0 40.0 1.4 41.0 9.4 42.0 4.2 43.0 100.0 44.0 4.4 45.0 3.0 53.0 2.9 55.0 3.6 57.0 1.5 58.0 7.4 65.0 1.1 67.0 10.5 68.0 1.2 69.0 4.3 71.0 97.1 72.0 4.9 85.0 17.5 86.0 60.0 87.0 5.2 95.0 1.7 100.0 8.9 102.0 2.5 113.0 28.8 114.0 1.9 128.0 13.3 129.0 1.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C7 H12 O2 0.05 ml : 0.5 ml CDCl3 3-ethyl-2,4-pentanedione 
Assign. Shift(ppm)
A 16.6 B 3.584 C 2.272 D 2.188 E 2.145 F 1.888 G 1.057 J 0.910
Hz ppm Int.6652.34 16.646 65 1439.94 3.604 45 1432.62 3.585 90 1425.54 3.567 48 913.09 2.285 63 905.52 2.266 66 898.19 2.248 37 874.51 2.189 1000 857.67 2.147 517 769.53 1.926 33 762.21 1.908 124 754.64 1.889 185 747.31 1.870 138 739.99 1.852 38 430.18 1.077 76 422.85 1.059 145 415.28 1.040 74 371.34 0.930 199 364.01 0.911 372 356.45 0.892 194
liquid film
