7436-07-9

4-(5)-硝基茚滿(7436-07-9)核磁圖(¹³CNMR)

產(chǎn)品名稱:4-(5)-硝基茚滿

CAS:7436-07-9

分子式:C9H9NO2

分子量: 163.17

InChI:InChI=1S/C9H9NO2/c11-10(12)9-5-4-7-2-1-3-8(7)6-9/h4-6H,1-3H2

InChIKey: DLURUQQMVLOLCP-UHFFFAOYSA-N

Smiles:C1C2=C(C=C([N+]([O-])=O)C=C2)CC1

Mass

MS-NW-6789          
5-nitroindan
C9H9NO2             (Mass of molecular ion:    163)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      18.0       3.3
      27.0       4.4
      28.0       1.7
      30.0       2.9
      38.0       2.2
      39.0      17.1
      40.0       1.4
      41.0       2.7
      46.0       1.0
      50.0       5.6
      51.0      10.6
      52.0       2.8
      53.0       2.0
      55.0       2.7
      57.5       1.8
      61.0       1.4
      62.0       5.6
      63.0      15.0
      64.0       2.7
      65.0      10.9
      66.0       1.1
      74.0       2.8
      75.0       3.1
      76.0       2.6
      77.0       7.8
      78.0       3.5
      79.0       4.6
      86.0       1.8
      87.0       2.3
      88.0       1.4
      89.0       9.2
      90.0       1.7
      91.0      33.4
      92.0       2.8
     102.0       5.5
     103.0       3.9
     104.0       1.5
     105.0      12.8
     106.0       1.5
     113.0       1.4
     114.0       2.0
     115.0      83.0
     116.0      53.0
     117.0      71.0
     118.0       7.5
     130.0       1.2
     131.0       1.5
     132.0       2.2
     133.0      11.7
     134.0       1.3
     145.0       1.0
     146.0      36.5
     147.0       6.0
     162.0       2.5
     163.0     100.0
     164.0      10.3
     165.0       1.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₉ H₉ N O₂	0.046 g : 0.5 ml CDCl₃
5-nitroindan

    Assign.     Shift(ppm)

      A             8.05
      B             8.01
      C             7.32
      D             2.98
      E             2.18

     Hz     ppm     Int.

    720.63   8.047    700
    718.81   8.027    284
    713.69   7.969    273
    711.50   7.945    168
    659.25   7.361    263
    657.50   7.342    121
    650.50   7.264    319
    275.13   3.073    349
    268.00   2.993   1000
    260.94   2.914    550
    260.44   2.908    544
    209.13   2.336    125
    207.75   2.320    125
    202.06   2.257    272
    200.81   2.243    326
    194.94   2.177    158
    193.69   2.163    516
    186.50   2.083    368

in CDCl3