2973-76-4

5-溴香兰素(2973-76-4)核磁图(¹HNMR)

产品名称:5-溴香兰素

CAS:2973-76-4

分子式:C8H7BrO3

分子量: 231.04

InChI:InChI=1S/C8H7BrO3/c1-12-7-3-5(4-10)2-6(9)8(7)11/h2-4,11H,1H3

InChIKey: KLSHZDPXXKAHIJ-UHFFFAOYSA-N

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

Mass

MS-NW-6833          
3-bromo-4-hydroxy-5-methoxybenzaldehyde
C8H7BrO3            (Mass of molecular ion:    230)

   Source Temperature: 270 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      15.0       3.1
      18.0       1.8
      26.0       1.1
      27.0       1.2
      28.0       5.7
      29.0       6.5
      31.0       1.3
      32.0       1.2
      37.0       3.2
      38.0       2.9
      39.0       4.1
      41.0       1.2
      43.0       1.3
      49.0       3.8
      50.0      14.5
      51.0      26.3
      52.0       7.6
      53.0      12.2
      54.0       1.4
      55.0       2.2
      61.0       4.8
      62.0       8.4
      63.0       8.8
      64.0       2.7
      65.0       8.0
      66.0       3.8
      67.0       1.1
      74.0       1.8
      75.0       1.2
      77.0       4.8
      78.0       3.4
      79.0      19.4
      80.0       3.7
      90.0       1.9
      91.0       4.4
      92.0       2.9
      93.0       1.6
      94.0       8.5
      95.0       1.3
     106.0       1.8
     107.0       9.1
     108.0       4.1
     119.0       1.1
     121.0       2.0
     122.0       2.2
     129.0       1.4
     130.0       1.3
     131.0       3.4
     132.0       1.1
     133.0       2.4
     135.0       6.9
     136.0       5.2
     143.0       2.2
     145.0       1.8
     151.0       2.3
     152.0       2.2
     157.0       1.1
     158.0       1.2
     159.0       8.6
     160.0       1.7
     161.0       7.9
     173.0       2.2
     175.0       1.6
     186.0       3.2
     187.0      12.4
     188.0       3.7
     189.0      11.9
     199.0       1.0
     201.0       5.9
     202.0       1.8
     203.0       5.4
     204.0       1.2
     215.0       4.9
     216.0       1.1
     217.0       4.7
     229.0      66.5
     230.0     100.0
     231.0      73.8
     232.0      97.3
     233.0       9.2
     234.0       1.1