154-23-4

(+)-儿茶素(154-23-4)红外图谱(IR1)

产品名称:(+)-儿茶素

CAS:154-23-4

分子式:C15H14O6

分子量: 290.27

InChI:InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1

InChIKey: PFTAWBLQPZVEMU-DZGCQCFKSA-N

Smiles:[C@H]1(C2=CC=C(O)C(O)=C2)OC2=CC(O)=CC(O)=C2C[C@@H]1O

IR1

IR2

Mass

MS-NW-2084          
(+)-catechin
C15H14O6 (H2O)      (Mass of molecular ion:    290)

   Source Temperature: 200 °C
   Sample Temperature: 200 °C
   Direct, 75 eV

      17.0       4.7
      18.0      28.7
      26.0       2.0
      27.0       4.4
      28.0       7.3
      29.0       2.4
      32.0       1.2
      34.0       2.4
      38.0       1.7
      39.0       7.6
      40.0       5.6
      41.0       4.7
      42.0       3.6
      43.0       3.9
      44.0       2.3
      50.0       2.7
      51.0       9.0
      52.0       3.0
      53.0       3.3
      54.0       2.7
      55.0       7.9
      56.0       1.2
      57.0       2.7
      60.0       1.2
      63.0       2.9
      64.0       1.2
      65.0       4.3
      66.0       2.4
      67.0       2.7
      68.0       2.6
      69.0       9.5
      71.0       1.1
      73.0       1.0
      75.0       1.0
      76.0       1.5
      77.0       9.7
      78.0       3.5
      79.0       1.2
      80.0       1.0
      81.0       2.6
      82.0       2.6
      83.0       1.6
      84.0       1.4
      85.0       1.4
      91.0       1.6
      93.0       2.3
      94.0       2.2
      95.0       2.6
      96.0       1.4
      97.0       1.8
      98.0       1.1
     105.0       2.3
     106.0       1.3
     107.0       2.1
     109.0       1.0
     110.0       5.9
     111.0       2.3
     118.0       1.4
     119.0       1.1
     121.0       1.1
     122.0       3.0
     123.0      51.8
     124.0      20.6
     125.0       1.7
     126.0       5.2
     133.0       1.3
     134.0       1.2
     135.0       1.6
     136.0       2.8
     137.0       1.5
     138.0       5.0
     139.0     100.0
     140.0       8.7
     141.0       1.1
     150.0       3.6
     151.0       1.6
     152.0      47.1
     153.0       4.4
     163.0       2.9
     166.0       1.0
     167.0       4.4
     168.0       1.0
     271.0       1.1
     272.0       1.4
     290.0      26.5
     291.0       4.1

KBr disc