13841-66-2

异烟酸正丁酯(13841-66-2)核磁图(¹HNMR)

产品名称:异烟酸正丁酯

CAS:13841-66-2

分子式:C10H13NO2

分子量: 179.22

InChI:InChI=1S/C10H13NO2/c1-2-3-8-13-10(12)9-4-6-11-7-5-9/h4-7H,2-3,8H2,1H3

InChIKey: UMQFMEMKBWWILL-UHFFFAOYSA-N

Smiles:C1(=CC=NC=C1)C(=O)OCCCC

¹HNMR

¹³CNMR

IR1

Mass

MS2015-05125CW      
butyl isonicotinate
C10H13NO2           (Mass of molecular ion:    179)

   Source Temperature: 250 °C
   Sample Temperature: 250 °C
   Reservoir, 70 eV

      27.0       4.2
      29.0       8.3
      39.0       4.4
      41.0      10.2
      43.0       1.5
      50.0       7.8
      51.0      34.0
      52.0       3.5
      53.0       1.2
      55.0       5.3
      56.0      22.3
      57.0       3.0
      76.0       1.2
      77.0       1.9
      78.0      39.3
      79.0       8.6
      80.0       3.1
      96.0       1.4
     105.0       2.8
     106.0      99.7
     107.0      10.4
     123.0      41.4
     124.0     100.0
     125.0       7.9
     136.0       1.6
     137.0      16.7
     138.0       1.7
     150.0       7.7
     151.0       7.7
     164.0      20.6
     165.0       2.2
     178.0      19.3
     179.0      12.1
     180.0       2.0

90 MHz in CDCl3

in CDCl3

¹H NMR	89.56 MHz
C₁₀ H₁₃ N O₂	0.04 ml : 0.5 ml CDCl₃
butyl isonicotinate

    Assign.     Shift(ppm)

      A             8.775
      B             7.847
      C             4.363
      D             1.75
      E             1.46
      F             1.00

     Hz     ppm     Int.

    789.13   8.812    701
    787.44   8.793    361
    784.69   8.762    398
    783.06   8.744    813
    705.63   7.879   1000
    704.00   7.861    506
    702.63   7.846     46
    701.25   7.830    434
    699.63   7.812    885
    397.63   4.440    311
    391.25   4.369    833
    384.75   4.297    427
    172.31   1.924     39
    167.75   1.874     61
    167.31   1.869     63
    165.94   1.853    105
    163.63   1.828     58
    162.38   1.814     53
    161.44   1.803     57
    159.25   1.779    195
    158.38   1.769    130
    157.31   1.757    114
    152.88   1.708    173
    151.88   1.696    162
    149.56   1.670     90
    148.19   1.655     70
    146.38   1.635    113
    145.38   1.624     75
    144.00   1.608     84
    143.13   1.599    121
    142.38   1.590    138
    140.38   1.568     43
    140.00   1.564     40
    139.50   1.558     44
    138.13   1.543    104
    136.88   1.529    147
    134.94   1.507    166
    133.44   1.490     56
    132.56   1.481     61
    132.44   1.479     61
    130.88   1.462    130
    128.19   1.432    153
    125.38   1.400     43
    124.38   1.389     52
    121.56   1.358    136
    120.44   1.345     74
    115.00   1.285     64
     96.19   1.075    236
     95.13   1.063    386
     91.19   1.019     42
     88.63   0.990    796
     87.38   0.976    280
     84.69   0.946     45
     83.63   0.934     70
     82.25   0.919    126
     81.13   0.906    178
     79.38   0.887     90

in CDCl3

liquid film

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异烟酸正丁酯(13841-66-2)核磁图(1HNMR)

异烟酸正丁酯(13841-66-2)核磁图(¹HNMR)