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(1R,14S)-13-oxabicyclo[12.4.0]octadecan-12-one
SpectraBase Compound ID JWDDNTtJd1u
InChI InChI=1S/C17H30O2/c18-17-14-8-6-4-2-1-3-5-7-11-15-12-9-10-13-16(15)19-17/h15-16H,1-14H2/t15-,16+/m1/s1
InChIKey OTBAMRDQABUXNJ-CVEARBPZSA-N
Mol Weight 266.42 g/mol
Molecular Formula C17H30O2
Exact Mass 266.22458 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8zLgrhuZuyb
Name (1R,14S)-13-Oxabicyclo[12.4.0]octadecan-12-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 266.224580204 u
Formula C17H30O2
InChI InChI=1S/C17H30O2/c18-17-14-8-6-4-2-1-3-5-7-11-15-12-9-10-13-16(15)19-17/h15-16H,1-14H2/t15-,16+/m1/s1
InChIKey OTBAMRDQABUXNJ-CVEARBPZSA-N
Molecular Weight 266.425 g/mol
SMILES C1(O[C@@]2([C@](CCCCCCCCCC1)(CCCC2)[H])[H])=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.836544