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1,4,7,10,13-Pentaoxacyclohexadecane-14,16-dione

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

1,4,7,10,13-Pentaoxacyclohexadecane-14,16-dione
SpectraBase Compound ID EVwH8gwgmh7
InChI InChI=1S/C11H18O7/c12-10-9-11(13)18-8-6-16-4-2-14-1-3-15-5-7-17-10/h1-9H2
InChIKey WGKVQTHJQOWYFT-UHFFFAOYSA-N
Mol Weight 262.26 g/mol
Molecular Formula C11H18O7
Exact Mass 262.105253 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IWDUrXkCnme
Name 1,4,7,10,13-Pentaoxacyclohexadecane-14,16-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 262.105252913 u
Formula C11H18O7
InChI InChI=1S/C11H18O7/c12-10-9-11(13)18-8-6-16-4-2-14-1-3-15-5-7-17-10/h1-9H2
InChIKey WGKVQTHJQOWYFT-UHFFFAOYSA-N
Molecular Weight 262.258 g/mol
SMILES C1(CC(OCCOCCOCCOCCO1)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.988545