1078-61-1

Dihydrocaffeic acid(1078-61-1) MS

Product NameDihydrocaffeic acid

CAS 1078-61-1

Molecular FormulaC9H10O4

Molecular Weight182.17

InChIInChI=1S/C9H10O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1,3,5,10-11H,2,4H2,(H,12,13)

InChIKey DZAUWHJDUNRCTF-UHFFFAOYSA-N

SmilesC1(CCC(O)=O)=CC=C(O)C(O)=C1

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¹HNMR

IR1

IR2

Dihydrocaffeic acid(1078-61-1) MS
Mass

MS-NW-6408          
3-(3,4-dihydroxyphenyl)propionic acid
C9H10O4             (Mass of molecular ion:    182)

   Source Temperature: 190 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      18.0       3.5
      27.0       2.9
      28.0       1.4
      29.0       1.1
      39.0       4.3
      41.0       1.2
      43.0       1.1
      44.0       1.5
      45.0       1.4
      50.0       1.7
      51.0       6.3
      52.0       1.5
      53.0       2.1
      55.0       2.5
      63.0       2.4
      64.0       1.2
      65.0       3.4
      66.0       1.2
      77.0       9.7
      78.0       1.2
      79.0       2.3
      81.0       1.0
      89.0       2.4
      90.0       1.2
      91.0       5.1
      94.0       1.5
     105.0       2.3
     107.0       2.5
     110.0       2.2
     119.0       1.7
     122.0       2.0
     123.0     100.0
     124.0       7.8
     135.0       2.5
     136.0      10.2
     137.0       3.1
     182.0      34.2
     183.0       3.5