2603-10-3

N-苯基香豆甲酯(2603-10-3)核磁圖(¹³CNMR)

產(chǎn)品名稱:N-苯基香豆甲酯

CAS:2603-10-3

分子式:C8H9NO2

分子量: 151.16

InChI:InChI=1S/C8H9NO2/c1-11-8(10)9-7-5-3-2-4-6-7/h2-6H,1H3,(H,9,10)

InChIKey: IAGUPODHENSJEZ-UHFFFAOYSA-N

Smiles:C(OC)(=O)NC1=CC=CC=C1

Mass

MS-NW-8016          
methyl phenylcarbamate
C8H9NO2             (Mass of molecular ion:    151)

   Source Temperature: 130 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      15.0      22.5
      18.0       4.6
      26.0       1.0
      27.0       3.0
      28.0       2.6
      29.0       4.0
      30.0       2.1
      31.0       5.4
      32.0       2.8
      37.0       3.7
      38.0       8.8
      39.0      26.1
      40.0       3.2
      41.0       3.0
      50.0       5.3
      51.0      12.3
      52.0       5.2
      53.0       1.1
      59.0      19.5
      61.0       1.5
      62.0       2.9
      63.0      11.3
      64.0      15.6
      65.0      45.8
      66.0       5.7
      74.0       1.4
      76.0       1.3
      77.0      22.0
      78.0       4.8
      79.0      12.3
      80.0       3.8
      90.0       2.2
      91.0      20.8
      92.0      33.5
      93.0       7.4
      94.0       6.0
     104.0       1.0
     106.0      75.5
     107.0       7.5
     108.0       1.2
     119.0      54.7
     120.0      12.5
     121.0       1.3
     135.0       2.8
     150.0       1.2
     151.0     100.0
     152.0      12.0
     153.0       1.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₉ N O₂	0.033 g : 0.5 ml CDCl₃
methyl phenylcarbamate

    Assign.     Shift(ppm)

      A             7.380
      B             7.295
      C             7.058
      D             6.79
      E             3.765

     Hz     ppm     Int.

   2954.47   7.393     73
   2946.53   7.373    111
   2924.80   7.319     29
   2923.22   7.315    174
   2921.02   7.309     54
   2915.77   7.296    212
   2909.06   7.280     54
   2907.23   7.275    133
   2905.27   7.270     21
   2828.98   7.079     44
   2827.76   7.076     72
   2826.54   7.073     41
   2820.43   7.058    121
   2814.21   7.042     31
   2813.11   7.039     54
   2811.89   7.036     35
   2714.60   6.793     31
   1504.64   3.765   1000

in CDCl3