3-PHENYLPROPYL BUTYRATE(7402-29-1) MS

Product Name3-PHENYLPROPYL BUTYRATE

CAS 7402-29-1

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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IR1

IR2

Raman

Mass

MS-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

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