P-TOLYL ACETATE(140-39-6) IR1
Product NameP-TOLYL ACETATE
CAS140-39-6
Molecular FormulaC9H10O2
Molecular Weight150.17
InChIInChI=1S/C9H10O2/c1-7-3-5-9(6-4-7)11-8(2)10/h3-6H,1-2H3
InChIKey CDJJKTLOZJAGIZ-UHFFFAOYSA-N
SmilesC(OC1=CC=C(C)C=C1)(=O)C
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MassMS-NW-3364 p-tolyl acetate C9H10O2 (Mass of molecular ion: 150)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 2.0 27.0 2.4 39.0 2.8 43.0 13.7 50.0 1.9 51.0 3.9 52.0 2.4 53.0 2.5 63.0 1.4 65.0 1.5 77.0 8.4 78.0 2.8 79.0 6.0 80.0 3.4 90.0 4.2 91.0 2.6 107.0 41.5 108.0 100.0 109.0 7.8 150.0 10.2 151.0 1.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C9 H10 O2 0.04 ml : 0.5 ml CDCl3 p-tolyl acetate 
Assign. Shift(ppm)
A 7.14 B 6.96 C 2.318 D 2.250
Hz ppm Int.646.19 7.216 44 645.63 7.209 54 645.06 7.203 61 643.50 7.186 26 643.38 7.184 26 642.75 7.177 22 639.19 7.138 30 638.63 7.131 33 636.75 7.110 140 628.00 7.013 33 625.81 6.988 209 623.44 6.962 49 619.38 6.916 29 617.13 6.891 78 207.63 2.319 423 205.00 2.289 33 201.50 2.250 1000
in CDCl3
liquid film
4880 A,200 M,liquid
