25173-72-2

3-(3,4,5-TRIMETHOXYPHENYL)PROPIONIC ACID(25173-72-2) IR1

Product Name3-(3,4,5-TRIMETHOXYPHENYL)PROPIONIC ACID

CAS 25173-72-2

Molecular FormulaC12H16O5

Molecular Weight240.25

InChIInChI=1S/C12H16O5/c1-15-9-6-8(4-5-11(13)14)7-10(16-2)12(9)17-3/h6-7H,4-5H2,1-3H3,(H,13,14)

InChIKey ZCYXGVJUZBKJAI-UHFFFAOYSA-N

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

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3-(3,4,5-TRIMETHOXYPHENYL)PROPIONIC ACID(25173-72-2) IR1
Mass

MS-IW-6707          
3-(3,4,5-trimethoxyphenyl)propionic acid
C12H16O5            (Mass of molecular ion:    240)

   Source Temperature: 160 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      39.0       1.9
      45.0       1.2
      51.0       1.6
      52.0       1.1
      53.0       1.9
      55.0       2.1
      63.0       1.1
      65.0       3.3
      66.0       1.6
      77.0       3.9
      78.0       1.7
      79.0       2.0
      90.0       1.0
      91.0       3.1
      93.0       1.1
      95.0       1.2
     105.0       1.9
     106.0       1.0
     107.0       1.9
     109.0       2.3
     119.0       1.6
     120.0       1.4
     121.0       2.9
     123.0       2.1
     135.0       2.3
     136.0       3.4
     137.0      11.9
     138.0       2.1
     148.0       3.4
     149.0       2.0
     151.0       8.3
     152.0       1.9
     164.0       2.2
     165.0       6.2
     166.0       1.0
     167.0       1.0
     179.0      25.4
     180.0       4.1
     181.0      63.8
     182.0       7.2
     183.0       1.4
     194.0       1.1
     195.0       5.5
     197.0       3.6
     207.0       1.7
     222.0       1.4
     223.0       1.0
     225.0      46.8
     226.0       5.8
     240.0     100.0
     241.0      13.2
     242.0       1.8