518-82-1

大黄素(518-82-1)红外图谱(IR2)

产品名称:大黄素

CAS:518-82-1

分子式:C15H10O5

分子量: 270.24

InChI:InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3

InChIKey: RHMXXJGYXNZAPX-UHFFFAOYSA-N

Smiles:C1(O)=C2C(C(=O)C3=C(C2=O)C(O)=CC(C)=C3)=CC(O)=C1

IR1

IR2

Mass

MS-NW-7975          
1,3,8-trihydroxy-6-methylanthraquinone
C15H10O5            (Mass of molecular ion:    270)

   Source Temperature: 250 °C
   Sample Temperature: 160 °C
   Direct, 75 eV

      18.0       2.7
      27.0       1.2
      28.0       1.4
      39.0       4.0
      50.0       2.2
      51.0       6.4
      52.0       2.2
      53.0       2.3
      55.0       1.1
      62.0       2.1
      63.0       4.3
      64.0       1.9
      65.0       1.8
      66.0       1.0
      67.0       1.0
      69.0       6.8
      69.5       2.4
      70.0       2.5
      74.0       2.0
      75.0       2.5
      76.0       1.9
      77.0       5.2
      78.0       2.1
      79.0       1.7
      84.0       3.6
      86.0       1.3
      87.0       1.8
      88.0       1.0
      89.0       2.8
      90.0       1.1
      91.0       1.2
      92.0       1.6
      98.0       2.5
      99.0       1.2
     101.0       1.1
     102.0       1.3
     103.0       1.0
     105.0       1.9
     106.0       1.8
     107.0       1.7
     108.0       1.5
     113.0       1.2
     114.0       1.0
     115.0       4.7
     116.0       1.1
     121.0       3.8
     126.0       1.1
     127.0       2.9
     128.0       4.5
     129.0       2.5
     135.0       2.6
     136.0       1.0
     137.0       2.3
     139.0       7.8
     140.0       1.9
     141.0       1.2
     144.0       1.0
     145.0       1.3
     157.0       2.3
     158.0       1.1
     167.0       2.2
     168.0       5.2
     169.0       1.6
     171.0       1.9
     172.0       1.4
     185.0       5.0
     186.0       1.7
     195.0       1.2
     196.0       3.4
     197.0       3.8
     199.0       1.9
     200.0       2.6
     213.0       9.9
     214.0       6.6
     215.0       1.0
     224.0       1.4
     225.0       2.7
     226.0       1.0
     227.0       1.4
     241.0       9.2
     242.0      13.8
     243.0       2.2
     253.0       3.0
     254.0       2.3
     255.0       2.4
     269.0       2.3
     270.0     100.0
     271.0      16.8
     272.0       2.5
     284.0       1.1

KBr disc