4-BROMO PHTHALIC ANHYDRUS(86-90-8) ¹H NMR

Product Name4-BROMO PHTHALIC ANHYDRUS

CAS 86-90-8

Molecular FormulaC8H3BrO3

Molecular Weight227.01

InChIInChI=1S/C8H3BrO3/c9-4-1-2-5-6(3-4)8(11)12-7(5)10/h1-3H

InChIKey BCKVHOUUJMYIAN-UHFFFAOYSA-N

SmilesC1(=O)C2=C(C=C(Br)C=C2)C(=O)O1

Request For Quotation

¹HNMR

IR1

IR2

Mass

MS-IW-7437          
4-bromophthalic anhydride
C8H3BrO3            (Mass of molecular ion:    226)

   Source Temperature: 140 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      28.0       2.1
      36.0       1.2
      37.0      10.6
      37.5       3.6
      38.0       3.9
      49.0       4.6
      50.0       7.2
      51.0       4.1
      53.0       1.6
      60.0       1.0
      61.0       2.5
      62.0       1.3
      72.0       1.2
      73.0      12.0
      74.0      46.7
      75.0      79.8
      76.0       5.7
      77.0      12.7
      77.5       1.2
      78.0      12.1
      91.0       7.9
      92.0       7.7
     103.0       5.4
     104.0       1.1
     128.0       1.1
     130.0       1.2
     154.0      47.7
     155.0       4.0
     156.0      46.5
     157.0       3.1
     182.0     100.0
     183.0       8.0
     184.0      98.7
     185.0       7.6
     226.0      63.2
     227.0       5.7
     228.0      62.1
     229.0       5.7

parameter in DMSO-d6

¹H NMR	300 MHz
C₈ H₃ Br O₃	0.041 g : 0.5 ml DMSO-d₆
4-bromophthalic anhydride

    Parameter     ppm  Hz

      D(A)         8.344
      D(B)         8.188
      D(C)         8.006
       J(A,B)          1.7
       J(A,C)          0.4
       J(B,C)          7.9

     Hz     ppm     Int.

   2504.02   8.347    927
   2502.41   8.341    986
   2461.46   8.205    492
   2459.78   8.199    459
   2453.56   8.179    648
   2451.88   8.173    614
   2405.47   8.018   1000
   2397.57   7.992    749

KBr disc