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627-13-4

硝酸丙酯(627-13-4)核磁图(1HNMR)

产品名称:硝酸丙酯

CAS:627-13-4

分子式:C3H7NO3

分子量: 105.09

InChI:InChI=1S/C3H7NO3/c1-2-3-7-4(5)6/h2-3H2,1H3

InChIKey: JNTOKFNBDFMTIV-UHFFFAOYSA-N

Smiles:[N+]([O-])(=O)OCCC

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    Mass

    MS-NW-8871          
    propyl nitrate
    C3H7NO3             (Mass of molecular ion:    105)
    

       Source Temperature: 270 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0       1.8
          26.0       3.1
          27.0      22.7
          28.0       9.1
          29.0      52.3
          30.0      15.0
          31.0      18.3
          39.0       2.9
          41.0      11.8
          42.0       4.0
          43.0      32.2
          44.0       1.5
          46.0     100.0
          55.0       1.6
          57.0       3.9
          58.0       1.1
          60.0       1.4
          76.0      45.0
    

parameter in CCl4

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    1H NMR 300 MHz
    C3 H7 N O3 in CCl4
    propyl nitrate
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 4.39 D(B) 1.78 D(C) 1.06 J(A,B) 6.5 J(A,C) 0.0 J(B,C) 7.6 CAVANAUGH,J.R. & DAILEY,B.P. J.CHEM.PHYS. 34, 1094 (1961)

         Hz     ppm     Int.
    

       1323.53   4.412    370
       1317.04   4.390    750
       1310.55   4.368    382
        552.08   1.840     37
        545.40   1.818     86
        544.41   1.815    125
        537.89   1.793    248
        536.91   1.790    153
        530.33   1.768    260
        523.77   1.746    134
        522.95   1.743    103
        516.30   1.721     44
        325.47   1.085    510
        317.87   1.060   1000
        310.31   1.034    437
    

liquid film

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4880 A,200 M,liquid

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