Benzyl butyrate(103-37-7) IR1
Product NameBenzyl butyrate
CAS103-37-7
Molecular FormulaC11H14O2
Molecular Weight178.23
InChIInChI=1S/C11H14O2/c1-2-6-11(12)13-9-10-7-4-3-5-8-10/h3-5,7-8H,2,6,9H2,1H3
InChIKey VONGZNXBKCOUHB-UHFFFAOYSA-N
SmilesC(OCC1=CC=CC=C1)(=O)CCC
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MassMS-NW-8358 benzyl butyrate C11H14O2 (Mass of molecular ion: 178)
Source Temperature: 260 °C Sample Temperature: 140 °C Reservoir, 75 eV
27.0 6.1 28.0 1.2 29.0 1.0 39.0 7.1 41.0 7.5 42.0 1.6 43.0 32.1 44.0 1.2 50.0 1.6 51.0 5.1 52.0 1.6 55.0 1.4 63.0 2.8 65.0 11.9 71.0 31.0 72.0 1.4 77.0 7.2 78.0 2.1 79.0 11.8 80.0 1.1 89.0 5.4 90.0 17.4 91.0 88.7 92.0 7.8 105.0 2.4 107.0 8.6 108.0 100.0 109.0 7.8 178.0 21.7 179.0 2.7
90 MHz in CDCl3
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1H NMR 89.56 MHz C11 H14 O2 0.04 ml : 0.5 ml CDCl3 benzyl butyrate 
Assign. Shift(ppm)
A 7.50 to 7.09 B 5.105 C 2.309 D 1.66 E 0.94
Hz ppm Int.656.19 7.327 1000 457.19 5.105 491 216.13 2.414 61 215.13 2.403 65 208.13 2.324 141 201.38 2.249 118 200.69 2.241 113 160.94 1.798 36 160.13 1.788 47 154.06 1.721 36 153.13 1.710 100 152.13 1.699 53 146.06 1.631 73 145.31 1.623 66 144.88 1.618 83 138.19 1.543 61 91.44 1.021 94 90.75 1.014 185 83.81 0.936 390 83.19 0.929 197 77.00 0.860 66 76.19 0.851 107 75.19 0.840 51
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
