18181-80-1

Bromopropylate(18181-80-1) ¹H NMR

Product NameBromopropylate

CAS 18181-80-1

Molecular FormulaC17H16Br2O3

Molecular Weight428.12

InChIInChI=1S/C17H16Br2O3/c1-11(2)22-16(20)17(21,12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h3-11,21H,1-2H3

InChIKey FOANIXZHAMJWOI-UHFFFAOYSA-N

SmilesC(O)(C(=O)OC(C)C)(C1=CC=C(Br)C=C1)C1=CC=C(Br)C=C1

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Bromopropylate(18181-80-1) <sup>1</sup>H NMR
Mass

MS2006-03099WA      
phenisobromolate
C17H16Br2O3         (Mass of molecular ion:    426)

   Source Temperature: 250 °C
   Sample Temperature:  55 °C
   Direct, 70 eV

      27.0       1.9
      39.0       1.1
      41.0       3.3
      43.0      10.2
      50.0       2.6
      51.0       2.2
      63.0       1.3
      74.0       1.2
      75.0       6.3
      76.0      13.0
      77.0       5.6
      90.5       1.2
     104.0      11.3
     105.0       4.3
     126.0       1.1
     150.0       1.3
     151.0       2.7
     152.0       7.2
     153.0       1.4
     155.0      18.2
     156.0       1.6
     157.0      17.7
     158.0       1.3
     163.0       2.7
     164.0       1.6
     183.0      51.6
     184.0       4.0
     185.0      50.4
     186.0       3.9
     260.0       4.9
     261.0       1.4
     262.0       4.7
     339.0      50.7
     340.0       8.2
     341.0     100.0
     342.0      14.5
     343.0      48.9
     344.0       6.8

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