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Ethane-1,2-diyl bis(3,5,5-trimethylhexanoate)

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

Ethane-1,2-diyl bis(3,5,5-trimethylhexanoate)
SpectraBase Compound ID KlrSlqLd6Xs
InChI InChI=1S/C20H38O4/c1-15(13-19(3,4)5)11-17(21)23-9-10-24-18(22)12-16(2)14-20(6,7)8/h15-16H,9-14H2,1-8H3
InChIKey VMWGCKHVNGTNLU-UHFFFAOYSA-N
Mol Weight 342.5 g/mol
Molecular Formula C20H38O4
Exact Mass 342.27701 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4bjOPsKJFi5
Name Ethane-1,2-diyl bis(3,5,5-trimethylhexanoate)
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 342.277009700 u
Formula C20H38O4
InChI InChI=1S/C20H38O4/c1-15(13-19(3,4)5)11-17(21)23-9-10-24-18(22)12-16(2)14-20(6,7)8/h15-16H,9-14H2,1-8H3
InChIKey VMWGCKHVNGTNLU-UHFFFAOYSA-N
Molecular Weight 342.520 g/mol
SMILES C(OC(CC(CC(C)(C)C)C)=O)COC(CC(CC(C)(C)C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.991173