Coumarin 120(26093-31-2) IR1

Product NameCoumarin 120

CAS 26093-31-2

Molecular FormulaC10H9NO2

Molecular Weight175.18

InChIInChI=1S/C10H9NO2/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5H,11H2,1H3

InChIKey GLNDAGDHSLMOKX-UHFFFAOYSA-N

SmilesC1(=O)OC2=CC(N)=CC=C2C(C)=C1

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Mass

MS-NW-2029          
7-amino-4-methyl-2-chromenone
C10H9NO2            (Mass of molecular ion:    175)

   Source Temperature: 200 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      18.0       3.6
      27.0       1.5
      28.0       3.1
      38.0       1.4
      39.0       5.0
      40.0       1.3
      41.0       2.4
      46.5       1.5
      50.0       2.4
      51.0       5.2
      52.0       4.6
      53.0       1.5
      54.0       1.3
      58.5       5.1
      59.0       1.0
      59.5       1.2
      62.0       1.5
      63.0       3.0
      64.0       1.1
      65.0       4.7
      66.0       1.1
      68.0       1.3
      73.0       2.7
      73.5       5.9
      74.0       1.4
      75.0       1.1
      76.0       1.4
      77.0       3.8
      78.0       2.6
      79.0       1.3
      80.0       1.1
      89.0       2.1
      90.0       1.5
      91.0       7.4
      92.0       1.5
      93.0       1.6
     102.0       1.0
     103.0       1.0
     104.0       3.3
     116.0       1.0
     117.0       4.1
     118.0      14.3
     119.0      24.8
     120.0       2.3
     146.0      15.5
     147.0      81.1
     148.0       8.4
     174.0       1.6
     175.0     100.0
     176.0      11.5

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₀ H₉ N O₂	0.043 g : 0.5 ml CDCl₃
7-amino-4-methyl-2-chromenone

    Assign.     Shift(ppm)

      A             7.36
      B             6.58
      C             6.58
      D             6.02
      E             4.1
      F             2.348

     Hz     ppm     Int.

    664.00   7.415    187
    660.13   7.371     46
    654.81   7.312    237
    594.25   6.636     84
    591.88   6.609    286
    590.25   6.591    351
    588.13   6.567    292
    585.06   6.533    218
    582.75   6.507     85
    539.44   6.024    211
    538.31   6.011    209
    537.25   5.999     84
    212.56   2.374     48
    210.88   2.355    985
    209.69   2.342   1000
    207.06   2.312     43

in CDCl3