24721-24-2

3-Nitro-trans-chalcone(24721-24-2)核磁图(¹³CNMR)

产品名称:3-Nitro-trans-chalcone

CAS:24721-24-2

分子式:C15H11NO3

分子量: 253.25

InChI:InChI=1S/C15H11NO3/c17-15(13-6-2-1-3-7-13)10-9-12-5-4-8-14(11-12)16(18)19/h1-11H/b10-9+

InChIKey: SMFBODMWKWBFOK-MDZDMXLPSA-N

Smiles:C(C1=CC=CC=C1)(=O)/C=C/C1=CC=CC([N+]([O-])=O)=C1

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-1429          
trans-3-nitrochalcone
C15H11NO3           (Mass of molecular ion:    253)

   Source Temperature: 180 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      27.0       1.0
      39.0       2.2
      50.0       6.5
      51.0      15.6
      52.0       2.6
      62.0       1.0
      63.0       3.5
      74.0       2.8
      75.0       4.6
      76.0      10.1
      77.0      48.7
      78.0       4.0
      89.0       3.8
      90.0       1.2
     101.0       3.3
     102.0      17.1
     103.0       2.2
     105.0      50.1
     106.0       4.0
     118.0       3.8
     129.0       6.0
     130.0       4.2
     131.0       1.4
     146.0       2.0
     148.0       2.4
     151.0       1.6
     152.0       3.6
     153.0       1.4
     165.0       3.8
     166.0       1.0
     176.0      23.4
     177.0       6.4
     178.0      25.0
     179.0       9.0
     180.0       4.1
     189.0       1.1
     190.0       1.0
     191.0       1.0
     205.0       2.0
     206.0      26.5
     207.0      11.4
     208.0       5.6
     223.0       1.2
     225.0      11.3
     226.0       1.8
     236.0      44.0
     237.0       8.2
     252.0      27.2
     253.0     100.0
     254.0      17.0
     255.0       1.9

400 MHz in CDCl3

90 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₅ H₁₁ N O₃	0.035 g : 0.5 ml CDCl₃
trans-3-nitrochalcone

    Assign.     Shift(ppm)

      A             8.501
      B             8.249
      C             8.051
      D             7.926
      E             7.824
      F             7.667
      G             7.624
      J             7.618
      K             7.536
     
     J(E,F)=15.6HZ
     90MHZ : HSP-05-324

     Hz     ppm     Int.

   3399.78   8.507    317
   3397.71   8.502    517
   3395.87   8.498    355
   3302.49   8.264    228
   3301.51   8.262    258
   3300.29   8.258    239
   3299.32   8.256    240
   3294.31   8.243    250
   3293.33   8.241    270
   3292.11   8.238    263
   3291.02   8.235    253
   3224.49   8.069    112
   3222.53   8.064    535
   3221.92   8.062    495
   3221.31   8.061    694
   3219.85   8.057    324
   3216.31   8.048    219
   3214.23   8.043    853
   3212.77   8.039    682
   3209.47   8.031     55
   3171.75   7.937    290
   3170.78   7.934    211
   3165.16   7.920    228
   3164.06   7.918    330
   3136.47   7.849    409
   3120.73   7.809    646
   3070.68   7.684   1000
   3066.89   7.674     46
   3064.21   7.668     35
   3062.87   7.664     30
   3054.93   7.645    728
   3052.37   7.638    424
   3049.44   7.631    163
   3047.24   7.625    433
   3044.43   7.618    610
   3041.26   7.610    254
   3039.92   7.607    416
   3038.57   7.604    237
   3036.38   7.598    341
   3032.59   7.589     49
   3032.23   7.588     49
   3030.64   7.584     42
   3030.15   7.583     42
   3028.56   7.579     39
   3028.08   7.577     38
   3027.22   7.575     37
   3026.73   7.574     35
   3025.51   7.571     35
   3020.14   7.557    139
   3018.31   7.553    576
   3016.85   7.549    286
   3011.96   7.537    454
   3010.62   7.534    843
   3009.16   7.530    253
   3007.08   7.525     76
   3005.00   7.520    174
   3003.30   7.515    370
   3002.44   7.513    260

¹H NMR	89.56 MHz
C₁₅ H₁₁ N O₃	0.035 g : 0.5 ml CDCl₃
trans-3-nitrochalcone

    Assign.     Shift(ppm)

      A             8.496
      B             8.239
      C             8.03
      D             7.93
      E             7.82
      F             7.67
      G          7.70 to 7.40
     
     400MHZ : HSP-42-113

     Hz     ppm     Int.

    763.06   8.521    206
    761.00   8.498    368
    759.31   8.479    275
    744.50   8.313    156
    743.31   8.300    188
    742.25   8.288    157
    741.13   8.276    156
    736.38   8.223    200
    735.19   8.209    233
    734.25   8.199    204
    732.94   8.184    201
    726.00   8.107    334
    724.25   8.087    386
    722.38   8.066    226
    721.44   8.056    217
    720.69   8.048    216
    718.69   8.025    364
    716.25   7.998    559
    714.06   7.973    272
    712.38   7.955    274
    709.94   7.927    115
    709.50   7.923    107
    707.56   7.901    246
    706.19   7.886    328
    705.00   7.872    212
    696.19   7.774    697
    693.63   7.745    145
    692.88   7.737    144
    690.63   7.712   1000
    689.13   7.695    435
    685.44   7.654    182
    683.75   7.635    217
    680.94   7.604    757
    679.94   7.593    767
    678.81   7.580    722
    677.69   7.567    442
    676.81   7.558    365
    674.88   7.536    366
    674.19   7.528    357
    673.19   7.517    456
    672.63   7.511    470
    670.00   7.482    145
    669.31   7.474    141
    668.94   7.470    141
    667.31   7.451    154
    665.44   7.431     94
    663.56   7.410    111

in CDCl3

liquid film

更多供应商

3-Nitro-trans-chalcone(24721-24-2)核磁图(13CNMR)

3-Nitro-trans-chalcone(24721-24-2)核磁图(¹³CNMR)