40731-98-4

4-羟基-1-茚酮(40731-98-4)核磁图(¹³CNMR)

产品名称:4-羟基-1-茚酮

CAS:40731-98-4

分子式:C9H8O2

分子量: 148.16

InChI:InChI=1S/C9H8O2/c10-8-3-1-2-6-7(8)4-5-9(6)11/h1-3,10H,4-5H2

InChIKey: CKSCMRNFDBWFND-UHFFFAOYSA-N

Smiles:C1(=O)C2=C(C(O)=CC=C2)CC1

Mass

MS-IW-2168          
4-hydroxy-1-indanone
C9H8O2              (Mass of molecular ion:    148)

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

      18.0       3.3
      27.0       1.8
      28.0       1.1
      37.0       1.1
      38.0       2.3
      39.0       7.5
      41.0       1.1
      43.0       1.4
      45.0       2.2
      45.5       1.4
      46.0       1.4
      50.0       3.9
      51.0       7.9
      52.0       2.1
      53.0       2.6
      55.0       1.9
      59.0       1.9
      60.0       1.2
      61.0       1.6
      62.0       3.5
      63.0       8.1
      64.0       3.6
      65.0      11.7
      66.0       2.0
      74.0       3.8
      75.0       2.1
      76.0       1.6
      77.0       3.4
      78.0       2.1
      89.0       4.0
      90.0       2.6
      91.0      43.7
      92.0      17.3
      93.0       2.1
      94.0       1.2
     101.0       1.0
     102.0       3.2
     103.0       1.6
     105.0       3.2
     118.0       1.7
     119.0      20.3
     120.0      65.0
     121.0       7.7
     131.0       1.3
     147.0      10.0
     148.0     100.0
     149.0      10.0

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₉ H₈ O₂	0.038 g : 0.5 ml DMSO-d₆
4-hydroxy-1-indanone

    Assign.     Shift(ppm)

      A             9.98
      B             7.247
      C             7.107
      D             7.065
      E             2.939
      F             2.604

     Hz     ppm     Int.

   3988.34   9.980    878
   2904.97   7.269    351
   2897.34   7.250    828
   2889.71   7.231    546
   2843.63   7.116    880
   2836.30   7.097    665
   2827.61   7.076    865
   2826.84   7.074    839
   2819.82   7.056    713
   2819.06   7.054    685
   1180.57   2.955    678
   1175.08   2.941    803
   1169.28   2.926    789
   1045.99   2.618   1000
   1044.01   2.613    437
   1042.18   2.608    617
   1040.04   2.603    908
   1038.51   2.599    624
   1036.83   2.595    385
   1034.55   2.589    814

in DMSO-d6