ISOBUTYL BENZOATE(120-50-3) 1H NMR
Product NameISOBUTYL BENZOATE
CAS120-50-3
Molecular FormulaC11H14O2
Molecular Weight178.23
InChIInChI=1S/C11H14O2/c1-9(2)8-13-11(12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKey KYZHGEFMXZOSJN-UHFFFAOYSA-N
SmilesC(OCC(C)C)(=O)C1=CC=CC=C1
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MassMS-NW-0931 isobutyl benzoate C11H14O2 (Mass of molecular ion: 178)
Source Temperature: 280 °C Sample Temperature: 150 °C Reservoir, 75 eV
18.0 1.2 27.0 3.2 28.0 3.0 29.0 4.1 39.0 3.6 41.0 7.6 43.0 1.6 50.0 3.6 51.0 12.5 55.0 1.3 56.0 27.5 57.0 2.3 73.0 1.1 76.0 2.1 77.0 35.7 78.0 2.9 79.0 2.4 105.0 100.0 106.0 8.3 122.0 2.0 123.0 40.9 124.0 3.3
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
