33892-75-0

5-甲氧基-3,4-二氫-2H-1-萘酮(33892-75-0)質(zhì)譜(MS)

產(chǎn)品名稱:5-甲氧基-3,4-二氫-2H-1-萘酮

CAS:33892-75-0

分子式:C11H12O2

分子量: 176.21

InChI:InChI=1S/C11H12O2/c1-13-11-7-3-4-8-9(11)5-2-6-10(8)12/h3-4,7H,2,5-6H2,1H3

InChIKey: BRCPWISABURVIH-UHFFFAOYSA-N

Smiles:C1(=O)C2=C(C(OC)=CC=C2)CCC1

Mass

MS-NW-9708          
5-methoxy-3,4-dihydro-1(2H)-naphthalenone
C11H12O2            (Mass of molecular ion:    176)

   Source Temperature: 210 °C
   Sample Temperature: 140 °C
   Reservoir, 75 eV

      18.0       2.1
      27.0       1.2
      39.0       3.1
      50.0       2.4
      51.0       8.6
      52.0       1.4
      53.0       1.0
      55.0       1.4
      62.0       1.4
      63.0       4.3
      64.0       1.2
      65.0       2.8
      74.0       2.7
      75.0       1.4
      76.0       1.9
      77.0      13.0
      78.0       2.9
      79.0       1.7
      89.0       5.2
      90.0      30.6
      91.0      10.9
      92.0       2.0
     102.0       1.3
     103.0       4.1
     104.0       1.7
     105.0      10.0
     115.0       7.2
     116.0       2.1
     117.0       3.8
     118.0       6.3
     119.0       9.8
     120.0      42.1
     121.0       4.6
     131.0       4.2
     132.0       1.4
     133.0       4.9
     134.0      14.1
     135.0       1.6
     144.0       1.2
     145.0       3.4
     146.0       1.9
     147.0      12.3
     148.0      45.2
     149.0       4.6
     158.0       2.4
     159.0       2.1
     160.0       1.4
     161.0      22.4
     162.0       3.8
     175.0       4.3
     176.0     100.0
     177.0      12.7
     178.0       1.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₁ H₁₂ O₂	0.037 g : 0.5 ml CDCl₃
5-methoxy-3,4-dihydro-1(2H)-naphthalenone

    Assign.     Shift(ppm)

      A             7.649
      B             7.262
      C             7.016
      D             3.859
      E             2.887
      F             2.621
      G             2.105

     Hz     ppm     Int.

   3061.65   7.661     96
   3060.55   7.659     94
   3053.71   7.641    108
   3052.61   7.639    103
   2910.28   7.283     69
   2902.34   7.263    135
   2894.41   7.243     73
   2808.23   7.027    105
   2807.13   7.024    104
   2800.05   7.007     90
   2799.07   7.004     89
   1542.48   3.860   1000
   1160.28   2.904    102
   1154.05   2.888    176
   1147.83   2.873    114
   1054.32   2.639    140
   1048.46   2.624    131
   1047.85   2.622    134
   1046.63   2.619    104
   1041.14   2.606    154
    853.88   2.137     47
    847.29   2.121    102
    842.90   2.110     51
    841.19   2.105    122
    840.82   2.104    123
    836.06   2.092     41
    834.47   2.089     92
    828.25   2.073     39

in CDCl3