PENTAERYTHRITOL TETRABENZOATE(4196-86-5) MS
Molecular FormulaC33H28O8
Molecular Weight552.57
InChIInChI=1S/C33H28O8/c34-29(25-13-5-1-6-14-25)38-21-33(22-39-30(35)26-15-7-2-8-16-26,23-40-31(36)27-17-9-3-10-18-27)24-41-32(37)28-19-11-4-12-20-28/h1-20H,21-24H2
InChIKey MINJAOUGXYRTEI-UHFFFAOYSA-N
SmilesC(OC(=O)C1=CC=CC=C1)C(COC(=O)C1=CC=CC=C1)(COC(=O)C1=CC=CC=C1)COC(=O)C1=CC=CC=C1
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Mass
MS-IW-7469
pentaerythritol tetrabenzoate
C33H28O8 (Mass of molecular ion: 552)
Source Temperature: 180 °C
Sample Temperature: 210 °C
Direct, 75 eV
51.0 1.2
77.0 11.6
78.0 1.7
82.0 4.6
105.0 100.0
106.0 8.1
158.0 3.4
176.0 11.7
177.0 1.4
186.0 1.7
204.0 11.9
205.0 1.6
227.0 3.3
325.0 2.2