ACETIC ACID 4-TERT-BUTYLPHENYL ESTER(3056-64-2) Raman
Product NameACETIC ACID 4-TERT-BUTYLPHENYL ESTER
CAS3056-64-2
Molecular FormulaC12H16O2
Molecular Weight192.25
InChIInChI=1S/C12H16O2/c1-9(13)14-11-7-5-10(6-8-11)12(2,3)4/h5-8H,1-4H3
InChIKey FSALNWWFUMHOAU-UHFFFAOYSA-N
SmilesC1(OC(=O)C)=CC=C(C(C)(C)C)C=C1
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MassMS-NW-2187 p-tert-butylphenyl acetate C12H16O2 (Mass of molecular ion: 192)
Source Temperature: 280 °C Sample Temperature: 170 °C Reservoir, 75 eV
15.0 2.0 27.0 1.3 29.0 1.4 39.0 3.4 41.0 6.9 43.0 8.3 51.0 1.3 55.0 1.1 63.0 1.0 65.0 2.2 77.0 3.7 78.0 1.1 79.0 1.5 91.0 4.7 94.0 1.0 95.0 4.0 105.0 1.2 107.0 10.2 119.0 1.4 121.0 1.3 134.0 1.5 135.0 100.0 136.0 10.1 150.0 27.0 151.0 3.0 192.0 4.2
90 MHz in CDCl3
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1H NMR 89.56 MHz C12 H16 O2 0.04 ml : 0.5 ml CDCl3 p-tert-butylphenyl acetate 
Assign. Shift(ppm)
A 7.37 B 7.00 C 2.271 D 1.309
Hz ppm Int.665.38 7.430 53 658.75 7.356 22 656.38 7.329 79 630.56 7.041 89 628.25 7.015 22 622.00 6.946 34 621.56 6.941 55 203.38 2.271 446 119.13 1.331 32 117.25 1.310 1000 115.31 1.288 36
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
