PIPERONYL METHYL KETONE(4676-39-5) 13C NMR
Product NamePIPERONYL METHYL KETONE
CAS4676-39-5
Molecular FormulaC10H10O3
Molecular Weight178.18
InChIInChI=1S/C10H10O3/c1-7(11)4-8-2-3-9-10(5-8)13-6-12-9/h2-3,5H,4,6H2,1H3
InChIKey XIYKRJLTYKUWAM-UHFFFAOYSA-N
SmilesC(C1=CC=C2OCOC2=C1)C(=O)C
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MassMS-NW-9486 methyl piperonyl ketone C10H10O3 (Mass of molecular ion: 178)
Source Temperature: 260 °C Sample Temperature: 150 °C Reservoir, 75 eV
39.0 1.5 43.0 10.1 50.0 2.1 51.0 9.5 63.0 1.0 65.0 1.1 67.0 1.7 76.0 1.3 77.0 17.7 78.0 2.2 79.0 5.5 105.0 6.5 106.0 1.1 135.0 100.0 136.0 10.4 149.0 1.9 178.0 26.1 179.0 3.1
400 MHz in CDCl3
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1H NMR 399.65 MHz C10 H10 O3 0.05 ml : 0.5 ml CDCl3 methyl piperonyl ketone 
Assign. Shift(ppm)
A 6.748 B 6.669 C 6.629 D 5.910 E 3.588 F 2.131
Hz ppm Int.2701.87 6.761 203 2701.42 6.760 210 2693.79 6.741 272 2666.63 6.673 220 2666.17 6.672 233 2664.49 6.668 248 2653.66 6.640 161 2653.05 6.639 125 2652.44 6.637 105 2651.82 6.636 153 2651.21 6.634 95 2646.33 6.622 71 2645.72 6.621 137 2645.11 6.619 93 2644.50 6.618 79 2643.89 6.616 109 2362.21 5.911 944 1434.33 3.589 520 851.75 2.132 1000
in CDCl3
liquid film
