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2-(Nonanoyloxy)propane-1,3-diyl dioctanoate

View entire compound with spectra: 1 NMR, and 1 FTIR

2-(Nonanoyloxy)propane-1,3-diyl dioctanoate
SpectraBase Compound ID A8w9HmRdGUX
InChI InChI=1S/C28H52O6/c1-4-7-10-13-16-19-22-28(31)34-25(23-32-26(29)20-17-14-11-8-5-2)24-33-27(30)21-18-15-12-9-6-3/h25H,4-24H2,1-3H3
InChIKey PVGJWYNUBYUGJV-UHFFFAOYSA-N
Mol Weight 484.7 g/mol
Molecular Formula C28H52O6
Exact Mass 484.376389 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HvKftbwMnRe
Name 2-(Nonanoyloxy)propane-1,3-diyl dioctanoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 484.376389388 u
Formula C28H52O6
InChI InChI=1S/C28H52O6/c1-4-7-10-13-16-19-22-28(31)34-25(23-32-26(29)20-17-14-11-8-5-2)24-33-27(30)21-18-15-12-9-6-3/h25H,4-24H2,1-3H3
InChIKey PVGJWYNUBYUGJV-UHFFFAOYSA-N
Molecular Weight 484.718 g/mol
SMILES C(C(COC(CCCCCCC)=O)OC(CCCCCCCC)=O)OC(CCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.976225