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Glyceryl tridecanoate
SpectraBase Compound ID IIxdPuQJn6J
InChI InChI=1S/C33H62O6/c1-4-7-10-13-16-19-22-25-31(34)37-28-30(39-33(36)27-24-21-18-15-12-9-6-3)29-38-32(35)26-23-20-17-14-11-8-5-2/h30H,4-29H2,1-3H3
InChIKey LADGBHLMCUINGV-UHFFFAOYSA-N
Mol Weight 554.9 g/mol
Molecular Formula C33H62O6
Exact Mass 554.45464 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8IOhW9fkOjw
Name Tricaprin
Classification Triglyceride, triacylglyceride, lipid
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 554.454639710 u
Formula C33H62O6
InChI InChI=1S/C33H62O6/c1-4-7-10-13-16-19-22-25-31(34)37-28-30(39-33(36)27-24-21-18-15-12-9-6-3)29-38-32(35)26-23-20-17-14-11-8-5-2/h30H,4-29H2,1-3H3
InChIKey LADGBHLMCUINGV-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 554.853 g/mol
Nominal Mass 554 u
Quality 993
Retention Index 3514
SMILES C(OC(CCCCCCCCC)=O)(COC(CCCCCCCCC)=O)COC(CCCCCCCCC)=O
SPLASH splash10-0a4i-8943000000-4b5c1158ee4dd1f0fca2
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Glycerol tricaprate 1,2,3-Propantriyltridecanoat Tridecanoin 2,3-Di(decanoyloxy)propyl decanoate
Technique GC/MS
Wiley ID DD2024_014369