3-PHENYLPROPYL BUTYRATE(7402-29-1) IR1
Product Name3-PHENYLPROPYL BUTYRATE
CAS7402-29-1
Molecular FormulaC13H18O2
Molecular Weight206.28
InChIInChI=1S/C13H18O2/c1-2-7-13(14)15-11-6-10-12-8-4-3-5-9-12/h3-5,8-9H,2,6-7,10-11H2,1H3
InChIKey IWBHCESPSIQPME-UHFFFAOYSA-N
SmilesC(OCCCC1=CC=CC=C1)(=O)CCC
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MassMS-NW-0708 3-phenylpropyl butyrate C13H18O2 (Mass of molecular ion: 206)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
18.0 1.0 27.0 5.5 28.0 4.0 29.0 1.8 39.0 4.7 41.0 9.0 42.0 2.6 43.0 19.2 51.0 2.6 55.0 1.0 56.0 2.4 57.0 2.3 63.0 1.2 65.0 4.6 71.0 9.7 77.0 3.5 78.0 2.8 79.0 1.7 89.0 1.2 91.0 25.2 92.0 3.2 103.0 2.7 104.0 1.5 105.0 3.1 115.0 2.1 116.0 1.6 117.0 52.7 118.0 100.0 119.0 10.6
CCl4 solution
liquid film
4880 A,200 M,liquid
