2623-82-7

2-BROMOOCTANOIC ACID(2623-82-7) IR2

Product Name2-BROMOOCTANOIC ACID

CAS 2623-82-7

Molecular FormulaC8H15BrO2

Molecular Weight223.11

InChIInChI=1S/C8H15BrO2/c1-2-3-4-5-6-7(9)8(10)11/h7H,2-6H2,1H3,(H,10,11)

InChIKey GTGTXZRPJHDASG-UHFFFAOYSA-N

SmilesC(O)(=O)C(Br)CCCCCC

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2-BROMOOCTANOIC ACID(2623-82-7) IR2
Mass

MS-NW-1100          
2-bromooctanoic acid
C8H15BrO2           (Mass of molecular ion:    222)

   Source Temperature: 250 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      14.0       1.7
      15.0       2.7
      16.0       1.1
      17.0       1.9
      18.0       9.0
      26.0       4.4
      27.0      54.9
      28.0       7.5
      29.0      62.1
      30.0       1.8
      31.0       3.4
      32.0       1.3
      36.0       3.7
      38.0       2.1
      39.0      38.8
      40.0       7.6
      41.0      98.0
      42.0      32.1
      43.0      77.0
      44.0      14.1
      45.0      11.8
      50.0       1.4
      51.0       3.3
      52.0       1.6
      53.0      10.9
      54.0       5.9
      55.0      71.9
      56.0      15.8
      57.0      20.8
      58.0       5.1
      59.0       4.9
      60.0      23.0
      61.0       3.1
      65.0       1.7
      66.0       1.1
      67.0      14.5
      68.0       5.6
      69.0      14.0
      70.0      18.9
      71.0       8.9
      72.0       1.3
      73.0     100.0
      74.0       5.7
      75.0       1.7
      77.0       1.5
      79.0       2.4
      80.0       5.7
      81.0       7.8
      82.0      13.5
      83.0      15.4
      84.0       6.5
      85.0      19.7
      86.0       5.6
      87.0       7.6
      88.0       2.8
      94.0       7.2
      95.0       6.4
      96.0       5.7
      97.0      17.8
      98.0       6.7
      99.0      19.3
     100.0       4.4
     101.0      34.4
     102.0       2.5
     106.0       1.4
     107.0       2.1
     108.0       1.4
     109.0       1.5
     113.0       7.1
     114.0       1.5
     115.0      22.3
     116.0       2.4
     120.0       1.5
     121.0       1.3
     122.0       1.4
     124.0       3.7
     125.0       9.5
     126.0       1.4
     127.0       1.6
     133.0       1.2
     135.0       1.6
     137.0       1.0
     138.0      77.2
     139.0       2.4
     140.0      77.3
     141.0       2.1
     142.0       2.2
     143.0      32.0
     144.0       3.1
     149.0       2.3
     151.0       6.9
     153.0       7.0
     165.0       1.2
     167.0       1.1
     179.0       1.7
     180.0       1.4
     181.0       1.5
     182.0       1.2
     193.0      14.7
     194.0       1.1
     195.0      14.6
     196.0       1.1
     200.0       3.9
     207.0       1.0
     222.0       1.1

90 MHz in CDCl3

2-BROMOOCTANOIC ACID(2623-82-7) IR2

¹H NMR	89.56 MHz
C₈ H₁₅ Br O₂	0.04 ml : 0.5 ml CDCl₃
2-bromooctanoic acid

    Assign.     Shift(ppm)

      A            10.98
      B             4.236
      C             2.03
      D          1.72 to 1.08
      E             0.89

     Hz     ppm     Int.

    983.57  10.983    264
    387.08   4.323    282
    379.76   4.241    433
    377.64   4.217     46
    372.58   4.161    337
    180.54   2.016    182
    119.02   1.329   1000
     84.89   0.948    249
     82.03   0.916    234
     79.61   0.889    806
     77.12   0.862    204
     76.39   0.853    172
     73.61   0.822    186

in CDCl3