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(3-Decanoyloxy-2-octanoyloxy-propyl) decanoate
SpectraBase Compound ID 6U6VdiKaJbr
InChI InChI=1S/C31H58O6/c1-4-7-10-13-15-18-20-23-29(32)35-26-28(37-31(34)25-22-17-12-9-6-3)27-36-30(33)24-21-19-16-14-11-8-5-2/h28H,4-27H2,1-3H3
InChIKey CYHAOTQWWRWBAF-UHFFFAOYSA-N
Mol Weight 526.8 g/mol
Molecular Formula C31H58O6
Exact Mass 526.42334 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DocODXr01ZI
Name (3-Decanoyloxy-2-octanoyloxy-propyl) decanoate
Classification Triglyceride, triacylglyceride, lipid
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 526.423339582 u
Formula C31H58O6
InChI InChI=1S/C31H58O6/c1-4-7-10-13-15-18-20-23-29(32)35-26-28(37-31(34)25-22-17-12-9-6-3)27-36-30(33)24-21-19-16-14-11-8-5-2/h28H,4-27H2,1-3H3
InChIKey CYHAOTQWWRWBAF-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 526.799 g/mol
Nominal Mass 526 u
Quality 997
Retention Index 3328
SMILES C(OC(CCCCCCC)=O)(COC(CCCCCCCCC)=O)COC(CCCCCCCCC)=O
SPLASH splash10-0a4i-7943000000-9324acc8b14139e63678
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms (3-Decanoyloxy-2-octanoyloxypropyl) decanoate
Technique GC/MS
Wiley ID DD2024_014370