SpectraBase Compound ID | 87IkFhWVEF5 |
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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 |
SpectraBase Spectrum ID | 5kBYZgpxN7F |
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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 |