O-TOLYL ACETATE(533-18-6) Raman
Product NameO-TOLYL ACETATE
CAS533-18-6
Molecular FormulaC9H10O2
Molecular Weight150.17
InChIInChI=1S/C9H10O2/c1-7-5-3-4-6-9(7)11-8(2)10/h3-6H,1-2H3
InChIKey AMZORBZSQRUXNC-UHFFFAOYSA-N
SmilesC(OC1=CC=CC=C1C)(=O)C
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MassMS-NW-3407 o-tolyl acetate C9H10O2 (Mass of molecular ion: 150)
Source Temperature: 290 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 2.4 27.0 2.7 38.0 1.4 39.0 6.1 42.0 1.1 43.0 24.3 50.0 3.3 51.0 6.8 52.0 4.1 53.0 3.5 62.0 1.0 63.0 2.7 65.0 2.2 77.0 14.9 78.0 5.3 79.0 9.8 80.0 6.5 89.0 2.3 90.0 9.4 91.0 3.8 107.0 32.7 108.0 100.0 109.0 7.9 150.0 12.3 151.0 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 o-tolyl acetate 
Assign. Shift(ppm)
A 7.22 B 7.18 C 7.11 D 6.99 E 2.284 F 2.17
Hz ppm Int.649.13 7.248 27 648.38 7.240 33 644.56 7.197 113 642.50 7.174 165 639.56 7.142 205 636.56 7.108 54 633.94 7.079 51 629.75 7.032 86 626.88 7.000 45 624.94 6.978 31 622.38 6.950 34 204.56 2.285 1000 194.06 2.167 619
in CDCl3
liquid film
4880 A,200 M,liquid
