Pentaerythritol(115-77-5) IR1

Product NamePentaerythritol

CAS 115-77-5

Molecular FormulaC5H12O4

Molecular Weight136.15

InChIInChI=1S/C5H12O4/c6-1-5(2-7,3-8)4-9/h6-9H,1-4H2

InChIKey WXZMFSXDPGVJKK-UHFFFAOYSA-N

SmilesC(O)C(CO)(CO)CO

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Mass

MS-NW-2140          
pentaerythritol
C5H12O4             (Mass of molecular ion:    136)

   Source Temperature: 200 °C
   Sample Temperature: 220 °C
   Direct, 75 eV

      15.0       2.9
      17.0       3.4
      18.0      17.3
      19.0      12.1
      26.0       2.7
      27.0      14.8
      28.0       7.2
      29.0      36.9
      30.0       8.6
      31.0      60.2
      32.0       1.4
      37.0       3.9
      38.0       2.5
      39.0      26.5
      40.0      13.0
      41.0      58.4
      42.0      84.5
      43.0       8.9
      44.0       6.5
      45.0       4.5
      47.0      14.1
      49.0       6.1
      53.0       3.1
      54.0      22.1
      55.0       6.5
      56.0       3.0
      57.0     100.0
      58.0      12.1
      59.0       1.2
      60.0       8.3
      61.0       1.1
      68.0       1.3
      69.0      23.9
      70.0      67.6
      71.0      30.9
      72.0       8.1
      73.0       4.6
      75.0       1.1
      81.0       1.7
      82.0       2.3
      85.0       1.7
      87.0       6.3
      88.0       8.9
     100.0       3.0

KBr disc

nujol mull

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