PHTHALIC ACID MONOBENZYL ESTER(2528-16-7) IR1

Product NamePHTHALIC ACID MONOBENZYL ESTER

CAS 2528-16-7

Molecular FormulaC15H12O4

Molecular Weight256.25

InChIInChI=1S/C15H12O4/c16-14(17)12-8-4-5-9-13(12)15(18)19-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17)

InChIKey XIKIUQUXDNHBFR-UHFFFAOYSA-N

SmilesC1(C(OCC2=CC=CC=C2)=O)=CC=CC=C1C(O)=O

Request For Quotation

¹³CNMR

IR1

IR2

Mass

MS-IW-5661          
benzyl hydrogen phthalate
C15H12O4            (Mass of molecular ion:    256)

   Source Temperature: 170 °C
   Sample Temperature: 160 °C
   Direct, 75 eV

      18.0       4.1
      27.0       2.5
      28.0       4.3
      29.0       1.6
      31.0       1.5
      37.0       5.6
      37.5       2.3
      38.0      10.6
      39.0       9.2
      41.0       1.2
      44.0       2.5
      49.0       2.8
      50.0      27.7
      51.0      15.5
      52.0       9.3
      53.0       5.3
      53.5       1.9
      54.0       1.4
      61.0       1.6
      62.0       2.2
      63.0       5.0
      64.0       1.6
      65.0      16.9
      66.0       1.6
      73.0       2.7
      74.0      10.2
      75.0       6.9
      76.0      48.4
      77.0      40.9
      78.0       9.7
      79.0      75.1
      80.0       7.1
      89.0       7.3
      90.0       9.2
      91.0      51.4
      92.0       6.9
      93.0       4.5
     104.0      57.4
     105.0      19.8
     106.0       3.9
     107.0      70.7
     108.0     100.0
     109.0       7.9
     121.0       3.4
     122.0      31.2
     123.0       2.7
     132.0       4.5
     148.0      42.2
     149.0      37.0
     150.0      63.4
     151.0       5.8
     152.0       1.0
     165.0       1.5
     256.0       1.6

in DMSO-d6