1485-70-7

n-芐基苯甲酰胺(1485-70-7)紅外圖譜(IR2)

產(chǎn)品名稱:n-芐基苯甲酰胺

CAS:1485-70-7

分子式:C14H13NO

分子量: 211.26

InChI:InChI=1S/C14H13NO/c16-14(13-9-5-2-6-10-13)15-11-12-7-3-1-4-8-12/h1-10H,11H2,(H,15,16)

InChIKey: LKQUCICFTHBFAL-UHFFFAOYSA-N

Smiles:C(NCC1=CC=CC=C1)(=O)C1=CC=CC=C1

Mass

MS-NW-6465          
N-benzylbenzamide
C14H13NO            (Mass of molecular ion:    211)

   Source Temperature: 170 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      17.0       1.0
      18.0       5.7
      27.0       1.2
      28.0       4.2
      39.0       2.6
      50.0       3.3
      51.0      11.1
      52.0       1.5
      63.0       1.3
      65.0       4.0
      74.0       1.2
      76.0       2.1
      77.0      41.9
      78.0       5.4
      79.0       4.5
      89.0       1.3
      91.0       9.1
     103.0       1.1
     104.0       3.8
     105.0     100.0
     106.0      29.3
     107.0       3.4
     132.0       1.0
     134.0       1.5
     181.0       1.8
     182.0       1.4
     194.0       1.0
     210.0      25.4
     211.0      81.5
     212.0      12.8
     213.0       1.2

400 MHz in CDCl3

90 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₄ H₁₃ N O	0.040 g : 0.5 ml CDCl₃
N-benzylbenzamide

    Assign.     Shift(ppm)

      A             7.778
      B             7.462
      C             7.378
      D             7.31
      E             7.31
      F             7.26
      G             6.78
      J             4.586
     
     J(G,J) = 5.7 HZ.

     Hz     ppm     Int.

   3111.57   7.786    229
   3106.45   7.773     87
   3104.49   7.769    270
   3103.03   7.765    208
   2991.94   7.487     33
   2990.72   7.484     55
   2989.50   7.481     37
   2985.47   7.471     47
   2983.40   7.466    143
   2981.45   7.461     52
   2977.29   7.450     73
   2975.95   7.447    114
   2974.73   7.444     65
   2954.96   7.394    200
   2953.61   7.391    102
   2948.49   7.378    173
   2947.27   7.375    287
   2941.53   7.361     64
   2940.06   7.357    125
   2935.30   7.345     31
   2933.84   7.342     35
   2932.74   7.339     41
   2931.27   7.335     47
   2924.44   7.318    411
   2920.41   7.308   1000
   2916.26   7.298     76
   2914.55   7.293     67
   2910.40   7.283    104
   2907.35   7.275     87
   2905.88   7.272     91
   2901.73   7.261     87
   2899.41   7.255     40
   2896.85   7.249     50
   2894.90   7.244    114
   2707.89   6.776     42
   1835.21   4.593    373
   1829.47   4.578    365

¹H NMR	89.56 MHz
C₁₄ H₁₃ N O	0.047 g : 0.5 ml CDCl₃
N-benzylbenzamide

    Assign.     Shift(ppm)

      A             7.78
      B          7.49 to 7.38
      C          7.38 to 7.30
      D             6.5
      E             4.628
     
     J(D,E)=5.7HZ
     400MHZ : HSP-41-749

     Hz     ppm     Int.

    702.48   7.844     84
    700.60   7.823     96
    698.80   7.803     39
    698.38   7.798     42
    697.44   7.788     61
    695.56   7.767     88
    692.74   7.735    152
    672.06   7.505     41
    671.46   7.498     53
    668.55   7.465    219
    667.10   7.449    194
    666.16   7.439    121
    664.28   7.418     69
    663.00   7.403     81
    661.98   7.392     82
    661.21   7.383    110
    656.51   7.331   1000
    652.66   7.288     52
    417.33   4.660    226
    411.61   4.596    211

in CDCl3