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4767-03-7

2,2-二羥甲基丙酸(4767-03-7)紅外圖譜(IR1)

產(chǎn)品名稱(chēng):2,2-二羥甲基丙酸

CAS:4767-03-7

分子式:C5H10O4

分子量: 134.13

InChI:InChI=1S/C5H10O4/c1-5(2-6,3-7)4(8)9/h6-7H,2-3H2,1H3,(H,8,9)

InChIKey: PTBDIHRZYDMNKB-UHFFFAOYSA-N

Smiles:C(O)(=O)C(CO)(C)CO

  • 圖譜
    Mass 

    MS-NW-6994          
2,2-bis(hydroxymethyl)propionic acid
C5H10O4             (Mass of molecular ion:    134)


       Source Temperature: 180 °C
   Sample Temperature: 120 °C
   Direct, 75 eV


          15.0       1.3
      17.0       2.0
      18.0       8.8
      19.0       2.4
      26.0       1.6
      27.0       9.5
      28.0       2.9
      29.0      10.7
      30.0       1.3
      31.0      18.8
      38.0       1.0
      39.0      11.1
      40.0       6.7
      41.0      33.3
      42.0       9.1
      43.0       6.2
      44.0       1.9
      45.0       4.8
      47.0       1.7
      53.0       1.3
      55.0       4.0
      56.0       1.9
      57.0      12.6
      58.0      11.2
      59.0       2.6
      68.0      13.6
      69.0      13.9
      70.0       3.3
      71.0       4.8
      72.0       3.1
      83.0       2.0
      85.0      13.6
      86.0     100.0
      87.0      11.3
      88.0       2.4
      98.0       5.4
     103.0       2.3
     104.0      21.3
     105.0       1.3

400 MHz in DMSO-d6

  • 圖譜

    1H NMR 399.65 MHz
    C5 H10 O4 0.040 g : 0.5 ml DMSO-d6
    2,2-bis(hydroxymethyl)propionic acid
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A     *1      3.464
      B     *1      3.429
      C             1.007
  

         Hz     ppm     Int.


       1392.09   3.484    163
   1381.84   3.458    457
   1373.41   3.437    448
   1363.04   3.411    166
    402.59   1.008   1000

in DMSO-d6

in D2O

  • 圖譜

  • 圖譜

KBr disc

  • 圖譜

nujol mull

  • 圖譜

4880 A,200 M,powder

  • 圖譜

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