5-甲氧基-1-茚酮(5111-70-6)核磁圖(¹HNMR)

產(chǎn)品名稱:5-甲氧基-1-茚酮

CAS:5111-70-6

分子式:C10H10O2

分子量: 162.19

InChI:InChI=1S/C10H10O2/c1-12-8-3-4-9-7(6-8)2-5-10(9)11/h3-4,6H,2,5H2,1H3

InChIKey: QOPRWBRNMPANKN-UHFFFAOYSA-N

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

Mass

MS-NW-8701          
5-methoxy-1-indanone
C10H10O2            (Mass of molecular ion:    162)

   Source Temperature: 270 °C
   Sample Temperature: 140 °C
   Reservoir, 75 eV

      27.0       1.3
      38.0       1.3
      39.0       4.4
      41.0       1.1
      50.0       3.0
      51.0       5.5
      52.0       1.4
      53.0       1.1
      62.0       3.2
      63.0      10.9
      64.0       2.7
      65.0       7.5
      74.0       2.4
      75.0       2.7
      76.0       2.2
      77.0       6.5
      78.0       3.4
      79.0       1.8
      81.0       1.0
      89.0       6.1
      90.0       4.4
      91.0      15.5
      92.0       2.4
     102.0       2.4
     103.0       5.6
     104.0       7.0
     105.0       3.2
     106.0       9.8
     107.0       1.1
     118.0       3.9
     119.0      11.7
     120.0       1.1
     131.0       1.9
     132.0       1.4
     133.0       9.0
     134.0      28.9
     135.0       4.0
     147.0       3.3
     161.0      55.5
     162.0     100.0
     163.0      10.9

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₀ H₁₀ O₂	0.052 g : 0.5 ml DMSO-d₆
5-methoxy-1-indanone

    Assign.     Shift(ppm)

      A             7.560
      B             7.078
      C             6.955
      D             3.863
      E             3.040
      F             2.58

     Hz     ppm     Int.

   3025.88   7.572    131
   3017.46   7.551    140
   2829.83   7.081    102
   2827.88   7.076    107
   2784.91   6.969     78
   2782.59   6.963     70
   2776.37   6.948     73
   2774.05   6.942     66
   1543.82   3.863   1000
   1221.07   3.056     82
   1215.33   3.041     96
   1209.35   3.027     94
   1036.13   2.593    164
   1033.69   2.587     55
   1032.23   2.583     85
   1030.15   2.578    134
   1028.32   2.574     86
   1026.86   2.570     52
   1024.29   2.563    137

in DMSO-d6