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77-85-0

三羥甲基乙烷(77-85-0)Raman光譜

產(chǎn)品名稱:三羥甲基乙烷

CAS:77-85-0

分子式:C5H12O3

分子量: 120.15

InChI:InChI=1S/C5H12O3/c1-5(2-6,3-7)4-8/h6-8H,2-4H2,1H3

InChIKey: QXJQHYBHAIHNGG-UHFFFAOYSA-N

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

  • 圖譜
    Mass 

    MS-NW-1452          
2-hydroxymethyl-2-methyl-1,3-propanediol
C5H12O3             (Mass of molecular ion:    120)


       Source Temperature: 260 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV


          15.0       2.9
      17.0       1.0
      18.0       4.6
      19.0       8.9
      26.0       1.4
      27.0      18.6
      28.0       4.1
      29.0      16.2
      30.0       2.2
      31.0      47.2
      32.0       1.1
      38.0       1.0
      39.0      19.0
      40.0       2.9
      41.0      65.0
      42.0       7.7
      43.0      36.2
      44.0       5.6
      45.0       5.4
      47.0       3.8
      53.0       3.8
      54.0       8.9
      55.0       7.0
      56.0      15.2
      57.0     100.0
      58.0       5.4
      59.0      12.3
      69.0       8.5
      70.0       2.8
      71.0      21.4
      72.0      92.4
      73.0       5.6
      83.0       1.9
      84.0       3.0
      89.0       1.1

  • 圖譜

in D2O

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KBr disc

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nujol mull

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