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Hexano-dibutyrin

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

Hexano-dibutyrin
SpectraBase Compound ID 6RaGwNwpUhj
InChI InChI=1S/C17H30O6/c1-4-7-8-11-16(19)22-13-14(23-17(20)10-6-3)12-21-15(18)9-5-2/h14H,4-13H2,1-3H3
InChIKey PPYJPJGXOGTUTQ-UHFFFAOYSA-N
Mol Weight 330.42 g/mol
Molecular Formula C17H30O6
Exact Mass 330.204239 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4i6OKGN26Wm
Name Hexano-dibutyrin
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 330.204238680 u
Formula C17H30O6
InChI InChI=1S/C17H30O6/c1-4-7-8-11-16(19)22-13-14(23-17(20)10-6-3)12-21-15(18)9-5-2/h14H,4-13H2,1-3H3
InChIKey PPYJPJGXOGTUTQ-UHFFFAOYSA-N
Molecular Weight 330.421 g/mol
SMILES CCCC(OCC(COC(CCCCC)=O)OC(=O)CCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.892476