For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Dinonanoin monocaprylin

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

Dinonanoin monocaprylin
SpectraBase Compound ID Bhb8w0XZtK7
InChI InChI=1S/C29H54O6/c1-4-7-10-13-16-18-21-27(30)33-24-26(35-29(32)23-20-15-12-9-6-3)25-34-28(31)22-19-17-14-11-8-5-2/h26H,4-25H2,1-3H3
InChIKey HJDHASXJFDTFKR-UHFFFAOYSA-N
Mol Weight 498.7 g/mol
Molecular Formula C29H54O6
Exact Mass 498.392039 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID KgCWvnVutF2
Name Dinonanoin monocaprylin
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 498.392039453 u
Formula C29H54O6
InChI InChI=1S/C29H54O6/c1-4-7-10-13-16-18-21-27(30)33-24-26(35-29(32)23-20-15-12-9-6-3)25-34-28(31)22-19-17-14-11-8-5-2/h26H,4-25H2,1-3H3
InChIKey HJDHASXJFDTFKR-UHFFFAOYSA-N
Molecular Weight 498.745 g/mol
SMILES C(COC(CCCCCCCC)=O)(COC(CCCCCCCC)=O)OC(CCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.981116