ACETIC ACID 4-ETHYLPHENYL ESTER(3245-23-6) 1H NMR
Product NameACETIC ACID 4-ETHYLPHENYL ESTER
CAS3245-23-6
Molecular FormulaC10H12O2
Molecular Weight164.2
InChIInChI=1S/C10H12O2/c1-3-9-4-6-10(7-5-9)12-8(2)11/h4-7H,3H2,1-2H3
InChIKey ANMYMLIUCWWISO-UHFFFAOYSA-N
SmilesC1(OC(=O)C)=CC=C(CC)C=C1
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MassMS-IW-6978 p-ethylphenyl acetate C10H12O2 (Mass of molecular ion: 164)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 1.2 27.0 1.1 39.0 3.0 41.0 1.0 43.0 11.0 51.0 2.0 52.0 1.1 53.0 1.1 63.0 1.2 65.0 2.2 77.0 7.4 78.0 2.1 79.0 1.2 91.0 2.9 103.0 1.3 107.0 100.0 108.0 8.3 120.0 1.0 121.0 4.1 122.0 68.4 123.0 6.2 164.0 10.9 165.0 1.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C10 H12 O2 0.05 ml : 0.5 ml CDCl3 p-ethylphenyl acetate 
Assign. Shift(ppm)
A 7.164 B 6.973 C 2.610 D 2.228 E 1.205
Hz ppm Int.2870.73 7.184 39 2870.00 7.182 38 2868.04 7.177 227 2867.43 7.175 175 2865.84 7.171 84 2861.45 7.160 102 2859.86 7.156 216 2859.25 7.155 261 2857.30 7.150 39 2856.69 7.148 43 2793.33 6.990 58 2790.77 6.984 330 2788.57 6.978 111 2784.18 6.967 112 2782.10 6.962 268 2779.42 6.955 40 1054.69 2.640 74 1047.00 2.620 205 1039.43 2.601 209 1031.86 2.582 79 893.43 2.236 76 890.38 2.228 1000 886.60 2.219 42 489.26 1.225 406 481.69 1.206 674 479.25 1.200 36 474.00 1.187 392
in CDCl3
liquid film
