4-ISOPROPOXY-2-BUTANONE(32541-58-5) MS
Product Name4-ISOPROPOXY-2-BUTANONE
CAS32541-58-5
Molecular FormulaC7H14O2
Molecular Weight130.18
InChIInChI=1S/C7H14O2/c1-6(2)9-5-4-7(3)8/h6H,4-5H2,1-3H3
InChIKey MEWOUXCWMNHTIZ-UHFFFAOYSA-N
SmilesCC(=O)CCOC(C)C
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MassMS-IW-3814 4-isopropoxy-2-butanone C7H14O2 (Mass of molecular ion: 130)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 2.9 27.0 6.5 28.0 2.0 29.0 1.9 31.0 1.9 39.0 4.1 41.0 9.5 42.0 6.4 43.0 100.0 44.0 4.4 45.0 7.6 50.0 1.0 55.0 5.2 57.0 1.7 58.0 7.1 59.0 4.8 61.0 3.3 70.0 4.3 71.0 32.8 72.0 9.5 73.0 8.8 86.0 1.8 87.0 45.0 88.0 3.1 115.0 3.6
parameter in CDCl3
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1H NMR 300 MHz C7 H14 O2 0.05 ml : 0.5 ml CDCl3 4-isopropoxy-2-butanone 
Parameter ppm Hz
D(A) 3.672 D(C) 2.663 D(D) 2.182 J(A,C) 6.0 J(A,D) 0.0 J(C,D) 0.5 D(B) 3.574 D(E) 1.138 J(B,E) 6.1
Hz ppm Int.1107.66 3.692 157 1101.67 3.672 324 1095.68 3.652 169 1084.49 3.615 30 1078.37 3.595 75 1072.28 3.574 101 1066.19 3.554 76 1060.07 3.534 32 805.01 2.683 100 804.69 2.682 100 798.70 2.662 191 792.73 2.642 94 654.62 2.182 672 344.45 1.148 1000 338.36 1.128 980
in CDCl3
liquid film
