3-ISOCHROMANONE(4385-35-7) ¹H NMR

Product Name3-ISOCHROMANONE

CAS 4385-35-7

Molecular FormulaC9H8O2

Molecular Weight148.16

InChIInChI=1S/C9H8O2/c10-9-5-7-3-1-2-4-8(7)6-11-9/h1-4H,5-6H2

InChIKey ILHLUZUMRJQEAH-UHFFFAOYSA-N

SmilesC1(=O)OCC2=CC=CC=C2C1

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Mass

MS-KW-0705          
3-isochromanone 
C9H8O2              (Mass of molecular ion:    148)

   Source Temperature: 240 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      26.0       1.0
      27.0       3.7
      28.0       4.5
      29.0       1.4
      37.0       1.9
      38.0       5.1
      39.0      21.6
      40.0       2.1
      41.0       2.9
      42.0       1.0
      43.0       2.2
      44.0       1.8
      44.5       1.4
      45.0       6.9
      45.5       2.8
      46.0       1.6
      49.0       1.3
      50.0      12.1
      51.0      36.6
      51.5       2.2
      52.0      17.2
      53.0       1.7
      59.0       7.8
      59.5       1.2
      61.0       2.7
      62.0       7.5
      63.0      20.0
      64.0       4.9
      65.0      21.0
      66.0       1.4
      74.0       3.8
      75.0       2.7
      76.0       2.9
      77.0      13.5
      78.0      32.4
      79.0       2.4
      86.0       1.5
      87.0       1.4
      89.0      16.9
      90.0       8.9
      91.0      66.2
      92.0      13.3
     102.0       3.1
     103.0      21.5
     104.0      97.7
     105.0      16.2
     106.0       2.3
     118.0       1.3
     119.0       9.5
     120.0       1.6
     148.0     100.0
     149.0      11.1
     150.0       1.0

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