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2199-93-1

3-乙酰基-6-溴香豆素(2199-93-1)质谱(MS)

分子式:C11H7BrO3

分子量: 267.08

InChI:InChI=1S/C11H7BrO3/c1-6(13)9-5-7-4-8(12)2-3-10(7)15-11(9)14/h2-5H,1H3

InChIKey: XFQYOFLFNKCHLG-UHFFFAOYSA-N

Smiles:C1(=O)OC2=CC=C(Br)C=C2C=C1C(C)=O

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    Mass

    MS-IW-2753          
    3-acetyl-6-bromocoumarine
    C11H7BrO3           (Mass of molecular ion:    266)
    

       Source Temperature: 140 °C
       Sample Temperature: 130 °C
       Direct, 75 eV
    

          15.0       1.5
          28.0       1.0
          37.0       1.1
          38.0       2.1
          39.0       1.6
          43.0      49.8
          44.0       3.1
          50.0       4.1
          51.0       3.4
          53.0       2.0
          58.0       1.7
          61.0       3.2
          62.0      12.3
          63.0       7.6
          72.0       1.2
          74.0       3.7
          75.0       2.4
          76.0       1.3
          77.0       1.6
          85.0       2.2
          86.0       5.7
          87.0       7.9
          88.0      15.8
          89.0       9.7
          90.0       1.0
          98.0       1.2
          99.0       1.7
         100.0       2.2
         102.0       1.6
         117.0       5.6
         119.0       2.3
         125.5       1.2
         126.5       1.1
         131.0       1.2
         167.0      12.7
         168.0       1.8
         169.0      12.5
         170.0       1.5
         179.0       2.7
         181.0       2.8
         187.0       1.0
         196.0      13.2
         197.0       1.6
         198.0      13.0
         199.0       1.4
         209.0       1.4
         211.0       1.1
         223.0      11.8
         224.0       5.1
         225.0      12.2
         226.0       4.9
         251.0     100.0
         252.0      11.0
         253.0      98.7
         254.0      11.0
         255.0       1.2
         266.0      74.7
         267.0       9.4
         268.0      73.7
         269.0       9.1
         270.0       1.0
    

KBr disc

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nujol mull

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