ChemicalBook
English   Japanese   Germany   Korea

108-03-2

1-硝基丙烷(108-03-2)质谱(MS)

产品名称:1-硝基丙烷

CAS:108-03-2

分子式:C3H7NO2

分子量: 89.09

InChI:InChI=1S/C3H7NO2/c1-2-3-4(5)6/h2-3H2,1H3

InChIKey: JSZOAYXJRCEYSX-UHFFFAOYSA-N

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

  • 图谱
    Mass

    MS-NW-4918          
    1-nitropropane
    C3H7NO2             (Mass of molecular ion:     89)
    

       Source Temperature: 260 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          15.0       4.1
          18.0       3.1
          26.0       4.8
          27.0      71.5
          28.0       6.6
          29.0       5.0
          30.0       8.3
          31.0       3.0
          37.0       1.2
          38.0       2.3
          39.0      19.3
          40.0       3.8
          41.0      79.3
          42.0      16.1
          43.0     100.0
          44.0       3.7
          46.0       2.3
          54.0       2.1
          57.0       1.3
          61.0       1.1
          72.0       1.0
    

90 MHz in CDCl3

parameter in CDCl3

  • 图谱

    1H NMR 89.56 MHz
    C3 H7 N O2 0.05 ml : 0.5 ml CDCl3
    1-nitropropane
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.361 B 2.033 C 1.029

         Hz     ppm     Int.
    

        397.63   4.440    361
        390.75   4.363    742
        387.19   4.324     27
        383.88   4.287    415
        201.19   2.247     23
        193.81   2.165    109
        186.81   2.086    209
        184.13   2.056     32
        183.13   2.045     28
        179.50   2.005    230
        172.50   1.927    144
        165.69   1.851     37
        165.19   1.845     37
         99.13   1.107    509
         96.13   1.074     46
         92.06   1.028   1000
         91.50   1.022    720
         87.44   0.977     37
         84.38   0.943    368
         83.75   0.936    226
    

  • 图谱

    1H NMR 300 MHz
    C3 H7 N O2 in CCl4
    1-nitropropane
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 4.28 D(B) 2.02 D(C) 1.03 J(A,B) 6.8 J(A,C) 0.0 J(B,C) 7.5 CAVANAUGH,J.R. & DAILEY,B.P. J.CHEM.PHYS. 34, 1094 (1961)

         Hz     ppm     Int.
    

       1290.84   4.303    349
       1284.04   4.280    712
       1277.25   4.257    363
        624.15   2.080     40
        616.71   2.056    143
        609.82   2.033    280
        602.38   2.008    287
        595.49   1.985    147
        588.08   1.960     45
        316.42   1.055    513
        308.92   1.030   1000
        301.42   1.005    458
    

in CDCl3

  • 图谱

CCl4 solution

  • 图谱

liquid film

  • 图谱

4880 A,200 M,liquid

  • 图谱

ANION RADICAL, ELECTROLYTIC REDUCTION IN H2O

  • 图谱

×