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Glycerol tricaprylate
SpectraBase Compound ID AO5CqjkjLA3
InChI InChI=1S/C27H50O6/c1-4-7-10-13-16-19-25(28)31-22-24(33-27(30)21-18-15-12-9-6-3)23-32-26(29)20-17-14-11-8-5-2/h24H,4-23H2,1-3H3
InChIKey VLPFTAMPNXLGLX-UHFFFAOYSA-N
Mol Weight 470.7 g/mol
Molecular Formula C27H50O6
Exact Mass 470.360739 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IS99Mgc1DFD
Name Glyceryl trioctanoate
CAS Registry Number 538-23-8
Classification Fat
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Exact Mass 470.360739324 u
Formula C27H50O6
InChI InChI=1S/C27H50O6/c1-4-7-10-13-16-19-25(28)31-22-24(33-27(30)21-18-15-12-9-6-3)23-32-26(29)20-17-14-11-8-5-2/h24H,4-23H2,1-3H3
InChIKey VLPFTAMPNXLGLX-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 470.691 g/mol
SMILES C(CCCCCCC)(OC(COC(=O)CCCCCCC)COC(=O)CCCCCCC)=O
SPLASH splash10-0a6r-9512000000-1c2edc99114d49c6a310
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Sample Preparation Procedure Detected: G
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_4465