3-acetyl-6-bromo-2H-chromen-2-one(2199-93-1) IR2

Product Name3-acetyl-6-bromo-2H-chromen-2-one

CAS 2199-93-1

Molecular FormulaC11H7BrO3

Molecular Weight267.08

InChIInChI=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

SmilesC1(=O)OC2=CC=C(Br)C=C2C=C1C(C)=O

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IR1

IR2

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