530-59-6

芥子酸(530-59-6)红外图谱(IR1)

产品名称:芥子酸

CAS:530-59-6

分子式:C11H12O5

分子量: 224.21

InChI:InChI=1S/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)

InChIKey: PCMORTLOPMLEFB-UHFFFAOYSA-N

Smiles:C(O)(=O)C=CC1=CC(OC)=C(O)C(OC)=C1

IR1

IR2

Mass

MS-NW-6348          
4-hydroxy-3,5-dimethoxycinnamic acid
C11H12O5            (Mass of molecular ion:    224)

   Source Temperature: 190 °C
   Sample Temperature:  80 °C
   Direct, 75 eV

      15.0       2.2
      29.0       1.1
      38.0       1.2
      39.0       3.6
      43.0       1.0
      45.0       1.6
      50.0       2.6
      51.0       4.3
      52.0       1.2
      53.0       3.8
      55.0       1.4
      62.0       1.2
      63.0       3.0
      64.0       1.5
      65.0       5.9
      66.0       1.4
      67.0       1.0
      69.0       3.3
      75.0       1.3
      76.0       1.7
      77.0       4.1
      78.0       1.4
      79.0       2.6
      81.0       2.6
      82.0       1.1
      89.0       1.1
      91.0       3.3
      92.0       2.0
      93.0       3.5
      94.0       1.1
     105.0       2.4
     107.0       2.0
     109.0       1.1
     110.0       1.3
     119.0       2.1
     120.0       2.0
     121.0       6.7
     122.0       1.3
     125.0       1.2
     133.0       2.2
     134.0       1.3
     135.0       4.1
     137.0       1.9
     139.0       1.0
     147.0       1.4
     149.0       4.8
     150.0       1.0
     153.0       1.6
     163.0       4.8
     164.0       1.2
     165.0       1.1
     175.0       1.4
     177.0       2.6
     178.0       2.5
     179.0       1.9
     180.0       2.7
     181.0       4.7
     207.0       2.1
     209.0      10.4
     210.0       1.5
     223.0       2.2
     224.0     100.0
     225.0      11.7
     226.0       2.1

KBr disc