3012-65-5

柠檬酸氢二铵(3012-65-5)Raman光谱

产品名称:柠檬酸氢二铵

CAS:3012-65-5

分子式:C6H14N2O7

分子量: 226.18

InChI:InChI=1S/C6H8O7.2H3N/c7-3(8)1-6(13,5(11)12)2-4(9)10;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2*1H3

InChIKey: YXVFQADLFFNVDS-UHFFFAOYSA-N

Smiles:C(O)(C(=O)O)(CC(=O)O)CC(=O)O.N.N

Mass

MS-NW-8907          
diammonium hydrogen citrate
C6H14N2O7           (Mass of molecular ion:    226)

   Source Temperature: 220 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      14.0       1.8
      15.0       7.9
      16.0       3.6
      17.0       8.0
      18.0      27.5
      19.0       1.8
      26.0       1.5
      27.0       5.8
      28.0      14.8
      29.0       9.3
      31.0       6.5
      37.0       1.6
      38.0       3.6
      39.0      19.4
      40.0      13.5
      41.0       4.6
      42.0      65.0
      43.0      85.1
      44.0      28.6
      45.0      22.0
      46.0       1.0
      53.0       1.4
      55.0       3.4
      56.0      45.5
      57.0       4.9
      58.0       3.8
      59.0       1.4
      60.0      46.6
      61.0       4.1
      67.0       2.0
      68.0       5.3
      69.0      18.3
      70.0       1.0
      71.0       1.7
      74.0       1.6
      81.0       1.6
      84.0      74.1
      85.0       5.4
      86.0       2.5
      87.0      63.7
      88.0       2.4
      98.0       1.1
     102.0      52.9
     103.0       2.5
     105.0       1.0
     111.0      39.5
     112.0       8.3
     113.0       1.2
     115.0       4.2
     128.0       1.1
     129.0     100.0
     130.0       6.8
     131.0       1.1
     133.0       1.1
     138.0       1.5
     139.0       3.6
     147.0      18.7
     148.0       1.1
     157.0       1.2
     175.0       1.2

90 MHz in D2O

¹H NMR	89.56 MHz
C₆ H₁₄ N₂ O₇	0.049 g : 0.5 ml D₂O
diammonium hydrogen citrate

    Assign.     Shift(ppm)

      B     *1      2.74
      C     *1      2.68
     
     THE SOLVENT SIGNAL REMOVED.

     Hz     ppm     Int.

    259.00   2.892     94
    243.88   2.724    931
    241.13   2.693   1000
    226.00   2.524    103

in D2O

KBr disc

nujol mull

4880 A,200 M,powder

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