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Product NamePentaerythritol
CAS115-77-5
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
MS
1HNMR
IR1
IR2
Raman
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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Pentaerythritol(115-77-5) Raman Atlas of Related Products