92666-21-2

1-苄氧基-2-甲氧基-4-丙烯基苯(92666-21-2)核磁图(¹³CNMR)

产品名称:1-苄氧基-2-甲氧基-4-丙烯基苯

CAS:92666-21-2

分子式:C17H18O2

分子量: 254.32

InChI:InChI=1S/C17H18O2/c1-3-7-14-10-11-16(17(12-14)18-2)19-13-15-8-5-4-6-9-15/h3-12H,13H2,1-2H3/b7-3+

InChIKey: YKSSSKBJDZDZTD-XVNBXDOJSA-N

Smiles:C1(OCC2=CC=CC=C2)=CC=C(/C=C/C)C=C1OC

Mass

MS-IW-5489          
trans-1-benzyloxy-2-methoxy-4-(1-propenyl)benzene
C17H18O2            (Mass of molecular ion:    254)

   Source Temperature: 150 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      39.0       2.0
      41.0       3.4
      51.0       1.4
      55.0       1.8
      63.0       1.2
      65.0       6.5
      77.0       3.2
      79.0       3.0
      89.0       1.3
      91.0      66.8
      92.0       5.9
      95.0       1.0
     103.0       4.2
     105.0       2.4
     107.0      16.8
     108.0       1.3
     115.0       2.3
     117.0       2.8
     118.0       1.4
     131.0       1.2
     133.0       1.5
     135.0       3.7
     162.0       1.0
     163.0     100.0
     164.0      12.0
     165.0       1.4
     254.0      69.1
     255.0      12.9
     256.0       1.6

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₇ H₁₈ O₂	0.046 g : 0.5 ml CDCl₃
trans-1-benzyloxy-2-methoxy-4-(1-propenyl)benzene

    Assign.     Shift(ppm)

      A             7.417
      B             7.341
      C             7.280
      D             6.900
      E             6.78
      F             6.78
      G             6.310
      J             6.090
      K             5.120
      L             3.875
      M             1.844
     
     J(G,J)=15.7HZ
     J(G,M)=-1.7HZ

     Hz     ppm     Int.

   2970.28   7.433     88
   2969.51   7.431     86
   2968.75   7.429    117
   2963.56   7.416    104
   2961.88   7.412    168
   2961.27   7.410    158
   2960.66   7.409    141
   2958.68   7.404     36
   2942.20   7.362     70
   2941.13   7.360    100
   2933.96   7.342    200
   2932.43   7.338     91
   2927.86   7.327     63
   2926.64   7.324    105
   2915.80   7.296     50
   2914.28   7.293     79
   2912.90   7.289     41
   2909.55   7.281     30
   2907.10   7.275     79
   2757.87   6.901    121
   2756.81   6.899    113
   2711.49   6.785    375
   2709.96   6.781    161
   2531.74   6.335     49
   2530.06   6.331     47
   2516.02   6.296     69
   2514.34   6.292     68
   2444.00   6.116     94
   2437.44   6.099     94
   2428.28   6.077     63
   2421.72   6.060     69
   2046.36   5.121    365
   1548.77   3.876   1000
    741.27   1.855    261
    739.59   1.851    255
    734.71   1.839    266
    733.03   1.835    258

in CDCl3