583-06-2

3-BENZOYLACRYLIC ACID(583-06-2) IR2

Product Name3-BENZOYLACRYLIC ACID

CAS 583-06-2

Molecular FormulaC10H8O3

Molecular Weight176.17

InChIInChI=1S/C10H8O3/c11-9(6-7-10(12)13)8-4-2-1-3-5-8/h1-7H,(H,12,13)

InChIKey PLPDHGOODMBBGN-UHFFFAOYSA-N

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

Request For Quotation

¹³CNMR

IR1

IR2

3-BENZOYLACRYLIC ACID(583-06-2) IR2
Mass

MS-IW-3917          
3-benzoylacrylic acid
C10H8O3             (Mass of molecular ion:    176)

   Source Temperature: 120 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      18.0       1.6
      27.0       3.1
      39.0       1.2
      45.0       2.1
      50.0       5.7
      51.0      17.5
      52.0       1.4
      53.0       2.5
      74.0       2.3
      75.0       1.7
      76.0       2.4
      77.0      51.2
      78.0       4.4
      81.0       1.5
      99.0       4.0
     102.0       1.3
     103.0       3.3
     105.0     100.0
     106.0       8.2
     130.0       5.8
     131.0       7.7
     132.0       3.6
     147.0       3.6
     148.0       3.3
     159.0       1.6
     176.0      37.9
     177.0       4.3

in CDCl3