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
Mass
MS-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
1H NMR | 89.56 MHz |
C9 H10 O2 | 0.04 ml : 0.5 ml CDCl3 |
o-tolyl acetate |
Assign. Shift(ppm) |
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
O-TOLYL ACETATE(533-18-6) 1H NMR Atlas of Related Products