M-CRESYL ACETATE(122-46-3) MS
Product NameM-CRESYL ACETATE
CAS122-46-3
Molecular FormulaC9H10O2
Molecular Weight150.17
InChIInChI=1S/C9H10O2/c1-7-4-3-5-9(6-7)11-8(2)10/h3-6H,1-2H3
InChIKey OTGAHJPFNKQGAE-UHFFFAOYSA-N
SmilesC(OC1=CC=CC(C)=C1)(=O)C
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MassMS-NW-3371 m-tolyl acetate C9H10O2 (Mass of molecular ion: 150)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 2.1 27.0 2.0 38.0 1.0 39.0 4.2 43.0 16.8 50.0 1.7 51.0 3.3 52.0 1.9 53.0 2.5 63.0 1.7 65.0 1.7 77.0 8.4 78.0 2.6 79.0 7.7 80.0 3.5 90.0 4.4 91.0 3.0 107.0 33.2 108.0 100.0 109.0 7.8 150.0 12.8 151.0 1.3
90 MHz in CDCl3
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1H NMR 89.56 MHz C9 H10 O2 0.04 ml : 0.5 ml CDCl3 m-tolyl acetate 
Assign. Shift(ppm)
A 7.25 B *1 7.03 C 6.91 D *1 6.89 E 2.34 F 2.265
Hz ppm Int.649.88 7.257 40 641.38 7.162 62 633.13 7.070 30 632.31 7.061 46 631.69 7.054 48 630.88 7.045 39 619.25 6.915 75 618.69 6.909 87 618.13 6.902 85 617.63 6.897 82 210.00 2.345 322 209.50 2.340 300 202.81 2.265 1000
in CDCl3
liquid film
4880 A,200 M,liquid
