493-05-0

異色滿(493-05-0)質(zhì)譜(MS)

產(chǎn)品名稱:異色滿

CAS:493-05-0

分子式:C9H10O

分子量: 134.18

InChI:InChI=1S/C9H10O/c1-2-4-9-7-10-6-5-8(9)3-1/h1-4H,5-7H2

InChIKey: HEBMCVBCEDMUOF-UHFFFAOYSA-N

Smiles:C1OCC2=CC=CC=C2C1

Mass

MS-IW-9457          
isochroman
C9H10O              (Mass of molecular ion:    134)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0       4.8
      28.0       1.2
      29.0       1.3
      38.0       1.5
      39.0       7.9
      50.0       5.9
      51.0      14.6
      52.0       5.1
      53.0       2.1
      55.0       2.8
      62.0       1.7
      63.0       5.1
      65.0       3.3
      74.0       2.3
      75.0       2.0
      76.0       2.5
      77.0      22.3
      78.0      20.2
      79.0      11.3
      89.0       2.2
      90.0       1.9
      91.0       7.0
      92.0       1.0
     102.0       3.4
     103.0      20.9
     104.0     100.0
     105.0      42.4
     106.0      10.0
     115.0       3.6
     118.0       2.3
     133.0      28.8
     134.0      50.6
     135.0       4.9
     148.0       1.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₉ H₁₀ O	0.05 g : 0.5 ml CDCl₃
isochroman

    Assign.     Shift(ppm)

      A             7.09
      B             7.07
      C             7.03
      D             6.871
      E             4.678
      F             3.869
      G             2.749
     
     ASSIGNED BY C-H COSY.

     Hz     ppm     Int.

   2839.97   7.107     36
   2835.08   7.094    293
   2834.59   7.093    310
   2833.25   7.090    130
   2832.64   7.088    173
   2832.03   7.087    124
   2830.32   7.082    378
   2829.96   7.082    402
   2828.00   7.077    213
   2826.29   7.072    398
   2825.32   7.070    433
   2822.63   7.063     71
   2820.68   7.058     88
   2816.16   7.047     42
   2814.58   7.043     43
   2811.04   7.034    202
   2810.67   7.033    209
   2807.86   7.026    166
   2806.64   7.023    197
   2805.42   7.020    102
   2804.81   7.019     88
   2804.20   7.017     96
   2803.59   7.016     84
   2803.10   7.014     93
   2802.12   7.012    124
   2801.64   7.011    124
   2751.10   6.884    164
   2750.49   6.883    174
   2748.78   6.878    112
   2748.17   6.877     89
   2747.56   6.875     95
   2745.85   6.871    183
   2745.36   6.870    171
   2744.87   6.869    144
   2742.07   6.862    154
   2741.58   6.860    155
   1870.61   4.681    730
   1870.00   4.680    772
   1552.25   3.885    604
   1546.39   3.870   1000
   1540.77   3.856    717
   1105.35   2.766    213
   1104.86   2.765    231
   1098.88   2.750    430
   1093.38   2.736    257

in CDCl3