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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

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    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
    

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KBr disc

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nujol mull

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