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1,3,6,8,11,14,17-Heptaoxacyclononadecane-2,7-quinone

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1,3,6,8,11,14,17-Heptaoxacyclononadecane-2,7-quinone
SpectraBase Compound ID 5wNu05NyYlD
InChI InChI=1S/C12H20O9/c13-11-18-7-5-16-3-1-15-2-4-17-6-8-19-12(14)21-10-9-20-11/h1-10H2
InChIKey MECQWNDHJVYZKT-UHFFFAOYSA-N
Mol Weight 308.28 g/mol
Molecular Formula C12H20O9
Exact Mass 308.110732 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5KRg9iZcGqr
Name 1,3,6,8,11,14,17-Heptaoxacyclononadecane-2,7-quinone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 308.110732215 u
Formula C12H20O9
InChI InChI=1S/C12H20O9/c13-11-18-7-5-16-3-1-15-2-4-17-6-8-19-12(14)21-10-9-20-11/h1-10H2
InChIKey MECQWNDHJVYZKT-UHFFFAOYSA-N
Molecular Weight 308.283 g/mol
SMILES C1(OCCOCCOCCOCCOC(OCCO1)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.989896