38184-47-3

3,5-二甲基吡唑-1-硝酸咪(38184-47-3)核磁图(¹³CNMR)

产品名称:3,5-二甲基吡唑-1-硝酸咪

CAS:38184-47-3

分子式:C6H11N5O3

分子量: 201.18

InChI:InChI=1S/C6H10N4.HNO3/c1-4-3-5(2)10(9-4)6(7)8;2-1(3)4/h3H,1-2H3,(H3,7,8);(H,2,3,4)

InChIKey: AGYXIUAGBLMBGV-UHFFFAOYSA-N

Smiles:N1(C(C)=CC(C)=N1)C(=N)N.[N+]([O-])(=O)O

Mass

MS-IW-0571          
3,5-dimethyl-1-pyrazolecarboxamidine nitrate
C6H10N4 HNO3        (Mass of molecular ion:    138)

   Source Temperature: 200 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      18.0       3.4
      27.0       2.5
      28.0       5.7
      29.0       1.1
      30.0       4.1
      39.0       5.2
      40.0       2.0
      41.0       7.8
      42.0      18.6
      43.0       9.7
      46.0      11.4
      52.0       1.3
      53.0       1.2
      54.0       8.9
      55.0       4.9
      56.0       1.5
      65.0       2.4
      66.0       1.4
      67.0       2.2
      68.0       3.0
      69.0       2.4
      81.0       9.4
      95.0      72.7
      96.0     100.0
      97.0       7.3
     138.0      35.4
     139.0       4.0

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₆ H₁₀ N₄	0.039 g : 0.5 ml DMSO-d₆
3,5-dimethyl-1-pyrazolecarboxamidine nitrate

    Assign.     Shift(ppm)

      A             9.17
      B             6.344
      C     *1      2.489
      D     *1      2.222

     Hz     ppm     Int.

   3663.64   9.168    151
   2535.25   6.344    222
    995.18   2.491    698
    994.42   2.489    727
    888.37   2.223   1000

in DMSO-d6

KBr disc

nujol mull

4880 A,200 M,powder

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3,5-二甲基吡唑-1-硝酸咪(38184-47-3)核磁图(13CNMR)

3,5-二甲基吡唑-1-硝酸咪(38184-47-3)核磁图(¹³CNMR)