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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

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2imkzIiJ6dI
Name Glyceryl tridecanoate
Acquisition Mode SIMULTANEOUS
CAS Registry Number 621-71-6
Comments Saturated glyceryl tridecanoate - Sigma-Aldrich Solvent CDCl3, temperature 298 K
Copyright Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved.
Data Source Madison Metabolomics Consortium
Formula C33 H62 O6
IUPAC Name 1,3-di(decanoyloxy)propan-2-yl decanoate; capric acid [2-capryloxy-1-(capryloxymethyl)ethyl] ester; [2-decanoyloxy-1-(decanoyloxymethyl)ethyl] decanoate; decanoic acid [2-(1-oxodecoxy)-1-(1-oxodecoxymethyl)ethyl] ester
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
PubChem Compound ID 69310
SMILES CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC
Source File Reference bmse000566