Isopentyl phenylacetate(102-19-2) 13C NMR
Product NameIsopentyl phenylacetate
CAS102-19-2
Molecular FormulaC13H18O2
Molecular Weight206.28
InChIInChI=1S/C13H18O2/c1-11(2)8-9-15-13(14)10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3
InChIKey QWBQBUWZZBUFHN-UHFFFAOYSA-N
SmilesC1(CC(OCCC(C)C)=O)=CC=CC=C1
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MassMS-NW-5722 isopentyl phenylacetate C13H18O2 (Mass of molecular ion: 206)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
27.0 5.6 28.0 1.1 29.0 9.1 39.0 7.6 40.0 1.2 41.0 13.3 42.0 3.7 43.0 100.0 44.0 3.3 50.0 1.0 51.0 3.3 55.0 12.4 56.0 1.3 57.0 2.2 63.0 2.6 64.0 1.0 65.0 11.0 69.0 2.8 70.0 55.3 71.0 23.5 72.0 1.3 77.0 4.2 89.0 2.8 90.0 2.9 91.0 79.0 92.0 18.6 93.0 1.3 105.0 14.6 106.0 1.5 118.0 1.1 119.0 4.3 136.0 21.1 137.0 6.2 206.0 1.4
90 MHz in CDCl3
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1H NMR 89.56 MHz C13 H18 O2 0.04 ml : 0.5 ml CDCl3 isopentyl phenylacetate 
Assign. Shift(ppm)
A 7.29 B 4.112 C 3.597 D 1.66 E 1.52 F 0.887
Hz ppm Int.653.31 7.295 190 651.88 7.279 1000 375.13 4.189 109 368.38 4.114 180 361.75 4.040 102 323.38 3.611 107 322.19 3.598 437 136.75 1.527 106 82.13 0.918 537 78.31 0.875 88 76.31 0.853 440 73.19 0.818 29
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
