2,4-Quinolinediol(86-95-3) IR1

Product Name2,4-Quinolinediol

CAS 86-95-3

Molecular FormulaC9H7NO2

Molecular Weight161.16

InChIInChI=1S/C9H7NO2/c11-8-5-9(12)10-7-4-2-1-3-6(7)8/h1-5H,(H2,10,11,12)

InChIKey HDHQZCHIXUUSMK-UHFFFAOYSA-N

SmilesN1C2=C(C=CC=C2)C(O)=CC1=O

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Mass

MS-NW-7010          
2,4-quinolinediol
C9H7NO2             (Mass of molecular ion:    161)

   Source Temperature: 180 °C
   Sample Temperature: 170 °C
   Direct, 75 eV

      17.0       1.3
      18.0       5.5
      27.0       1.4
      28.0       1.8
      37.0       2.3
      38.0       4.3
      39.0       6.1
      40.0       1.0
      41.0       2.2
      42.0       1.9
      50.0       5.3
      51.0       7.3
      52.0       5.5
      53.0       1.5
      61.0       2.1
      62.0       3.8
      63.0       9.8
      64.0      10.8
      65.0       9.4
      66.0       4.8
      69.0       3.9
      74.0       2.2
      75.0       2.1
      76.0       3.7
      77.0       8.9
      78.0       3.3
      88.0       1.0
      89.0       1.8
      90.0       3.3
      91.0       6.7
      92.0      34.4
      93.0       3.0
     104.0       7.1
     105.0      11.8
     106.0       1.1
     119.0      67.7
     120.0      35.4
     121.0       3.0
     132.0       5.1
     133.0       9.6
     134.0       1.0
     161.0     100.0
     162.0      10.4
     163.0       1.2

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₉ H₇ N O₂	saturated in DMSO-d₆
2,4-quinolinediol

    Assign.     Shift(ppm)

      A            11.0
      B             7.801
      C             7.481
      D             7.294
      E             7.138
      F             5.810

     Hz     ppm     Int.

   4435.19  11.098     79
   3122.62   7.814    253
   3121.34   7.811    258
   3114.56   7.794    278
   3113.28   7.791    269
   2998.99   7.505    135
   2997.52   7.501    133
   2991.84   7.487    194
   2990.56   7.483    281
   2989.28   7.480    189
   2983.60   7.466    192
   2982.13   7.462    178
   2918.94   7.304    327
   2910.88   7.284    270
   2860.69   7.158    189
   2859.60   7.156    174
   2853.37   7.140    240
   2852.64   7.138    322
   2851.72   7.136    207
   2845.49   7.120    168
   2844.58   7.118    149
   2322.18   5.811   1000

DMSO-d6