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2,3-Di(octanoyloxy)propyl decanoate
SpectraBase Compound ID GXD8duqutBR
InChI InChI=1S/C29H54O6/c1-4-7-10-13-14-17-19-22-28(31)34-25-26(35-29(32)23-20-16-12-9-6-3)24-33-27(30)21-18-15-11-8-5-2/h26H,4-25H2,1-3H3
InChIKey OXBFEJBBKCRANO-UHFFFAOYSA-N
Mol Weight 498.7 g/mol
Molecular Formula C29H54O6
Exact Mass 498.392039 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DkR23Fqfz96
Name 2,3-Dioctanoyloxypropyl decanoate
Classification Triglyceride, triacylglyceride, lipid
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 498.392039453 u
Formula C29H54O6
InChI InChI=1S/C29H54O6/c1-4-7-10-13-14-17-19-22-28(31)34-25-26(35-29(32)23-20-16-12-9-6-3)24-33-27(30)21-18-15-11-8-5-2/h26H,4-25H2,1-3H3
InChIKey OXBFEJBBKCRANO-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 498.745 g/mol
Nominal Mass 498 u
Quality 998
Retention Index 3138
SMILES C(OC(CCCCCCC)=O)(COC(CCCCCCCCC)=O)COC(CCCCCCC)=O
SPLASH splash10-0a6r-6932000000-0847e64c33b425ba8318
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 2,3-Bis(octanoyloxy)propyl decanoate 2,3-Di(octanoyloxy)propyl decanoate
Technique GC/MS
Wiley ID DD2024_021666