PHENOXYACETONE(621-87-4) Raman
Product NamePHENOXYACETONE
CAS621-87-4
Molecular FormulaC9H10O2
Molecular Weight150.17
InChIInChI=1S/C9H10O2/c1-8(10)7-11-9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKey QWAVNXZAQASOML-UHFFFAOYSA-N
SmilesC(OC1=CC=CC=C1)C(=O)C
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MassMS-NW-5668 1-phenoxy-2-propanone C9H10O2 (Mass of molecular ion: 150)
Source Temperature: 270 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 4.4 26.0 1.1 27.0 4.8 28.0 2.0 29.0 2.3 37.0 1.1 38.0 3.0 39.0 11.7 40.0 1.3 41.0 1.6 42.0 2.2 43.0 84.2 44.0 2.1 50.0 5.6 51.0 22.2 52.0 2.0 53.5 1.0 57.0 1.0 62.0 1.3 63.0 3.7 64.0 1.7 65.0 8.1 66.0 2.0 74.0 1.5 75.0 1.5 76.0 2.0 77.0 100.0 78.0 10.7 79.0 24.3 80.0 1.8 91.0 1.0 93.0 1.1 94.0 5.5 99.0 2.3 107.0 69.8 108.0 14.6 109.0 1.3 111.0 1.1 150.0 69.4 151.0 7.2
90 MHz in CDCl3
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1H NMR 89.56 MHz C9 H10 O2 0.04 ml : 0.5 ml CDCl3 1-phenoxy-2-propanone 
Assign. Shift(ppm)
A 7.277 B 6.98 C 6.87 D 4.515 E 2.259
Hz ppm Int.661.06 7.382 38 654.25 7.306 87 653.75 7.300 84 652.31 7.284 76 647.81 7.234 42 646.19 7.216 91 645.44 7.207 78 632.06 7.058 51 630.81 7.044 48 625.44 6.984 49 624.81 6.977 72 621.69 6.942 33 620.19 6.925 97 618.81 6.910 138 617.63 6.897 41 616.44 6.883 39 613.00 6.845 31 611.56 6.829 70 610.88 6.821 55 610.31 6.815 71 404.38 4.516 523 202.31 2.259 1000 200.63 2.241 40
in CDCl3
liquid film
