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Oxacycloheptadecane-2,13-dione
SpectraBase Compound ID 87IkFhWVEF5
InChI InChI=1S/C16H28O3/c17-15-11-7-5-3-1-2-4-6-8-13-16(18)19-14-10-9-12-15/h1-14H2
InChIKey BFRVMARKLHXDFW-UHFFFAOYSA-N
Mol Weight 268.4 g/mol
Molecular Formula C16H28O3
Exact Mass 268.203845 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5kBYZgpxN7F
Name Oxacycloheptadecane-2,13-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 268.203844759 u
Formula C16H28O3
InChI InChI=1S/C16H28O3/c17-15-11-7-5-3-1-2-4-6-8-13-16(18)19-14-10-9-12-15/h1-14H2
InChIKey BFRVMARKLHXDFW-UHFFFAOYSA-N
SMILES C1(OCCCCC(=O)CCCCCCCCCC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.884412