trans-4-Acetoxy-3-methoxycinnamic acid(34749-55-8) IR2

Product Nametrans-4-Acetoxy-3-methoxycinnamic acid

CAS 34749-55-8

Molecular FormulaC12H12O5

Molecular Weight236.22

InChIInChI=1S/C12H12O5/c1-8(13)17-10-5-3-9(4-6-12(14)15)7-11(10)16-2/h3-7H,1-2H3,(H,14,15)/b6-4+

InChIKey IHKNVZISLLDMOR-GQCTYLIASA-N

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

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IR1

IR2

Mass

MS-KW-0356          
trans-4-acetoxy-3-methoxycinnamic acid
C12H12O5            (Mass of molecular ion:    236)

   Source Temperature: 180 °C
   Sample Temperature: 160 °C
   Direct, 75 eV

      15.0       1.6
      18.0       2.4
      28.0       1.1
      39.0       1.9
      42.0       1.3
      43.0      17.8
      44.0       1.0
      50.0       1.7
      51.0       4.4
      52.0       1.2
      53.0       1.5
      55.0       1.8
      63.0       1.9
      65.0       1.8
      66.0       1.5
      67.0       1.1
      69.0       1.5
      77.0       4.9
      78.0       1.8
      79.0       1.5
      89.0       3.1
      91.0       1.6
      95.0       1.6
     105.0       2.5
     107.0       2.2
     117.0       1.9
     118.0       1.0
     123.0       1.7
     133.0       6.4
     134.0       1.8
     145.0       2.7
     148.0       2.4
     149.0       2.0
     151.0       2.8
     161.0       3.3
     176.0       1.1
     177.0       5.8
     179.0      13.5
     180.0       1.4
     193.0       4.1
     194.0     100.0
     195.0      11.3
     196.0       1.4
     236.0       4.4

KBr disc

nujol mull

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