76-39-1

2-甲基-2-硝基-1-丙醇(76-39-1)核磁图(¹HNMR)

产品名称:2-甲基-2-硝基-1-丙醇

CAS:76-39-1

分子式:C4H9NO3

分子量: 119.12

InChI:InChI=1S/C4H9NO3/c1-4(2,3-6)5(7)8/h6H,3H2,1-2H3

InChIKey: MVGJRISPEUZYAQ-UHFFFAOYSA-N

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

Mass

MS-NW-4961          
2-methyl-2-nitro-1-propanol
C4H9NO3             (Mass of molecular ion:    119)

   Source Temperature: 290 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      12.0       1.2
      13.0       1.5
      14.0       4.5
      15.0      25.6
      16.0       1.0
      17.0       4.8
      18.0      21.5
      19.0       4.6
      25.0       1.2
      26.0       6.5
      27.0      35.8
      28.0      18.1
      29.0      60.3
      30.0      66.5
      31.0      70.5
      37.0       3.3
      38.0       6.2
      39.0      49.9
      40.0      13.3
      41.0      73.9
      42.0      51.7
      43.0      50.3
      44.0       4.7
      45.0      38.6
      46.0       2.0
      51.0       1.4
      52.0       1.6
      53.0       5.4
      54.0       4.8
      55.0      93.5
      56.0       7.0
      57.0      26.7
      58.0      17.5
      59.0      19.8
      71.0       4.7
      72.0      12.5
      73.0     100.0
      74.0       4.8
      89.0      19.9

parameter in CDCl3

¹H NMR	300 MHz
C₄ H₉ N O₃	0.040 g : 0.5 ml CDCl₃
2-methyl-2-nitro-1-propanol

    Parameter     ppm  Hz

      D(A)         3.856
     
      D(B)         2.58
     
      D(C)         1.586

     Hz     ppm     Int.

   1156.80   3.856    333
    772.81   2.576    167
    475.80   1.586   1000

in CDCl3

CCl4 solution

KBr disc

nujol mull

4880 A,200 M,powder

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2-甲基-2-硝基-1-丙醇(76-39-1)核磁图(1HNMR)

2-甲基-2-硝基-1-丙醇(76-39-1)核磁图(¹HNMR)