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(1S,16S)-15-oxabicyclo[14.3.0]nonadecane-3,14-dione
SpectraBase Compound ID ERYtJBQfnjj
InChI InChI=1S/C18H30O3/c19-16-11-7-5-3-1-2-4-6-8-13-18(20)21-17-12-9-10-15(17)14-16/h15,17H,1-14H2/t15-,17-/m0/s1
InChIKey DWIYFUILQUWJCH-RDJZCZTQSA-N
Mol Weight 294.44 g/mol
Molecular Formula C18H30O3
Exact Mass 294.219495 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5PmuBjwlekj
Name (1S,16S)-15-Oxabicyclo[14.3.0]nonadecane-3,14-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 294.219494823 u
Formula C18H30O3
InChI InChI=1S/C18H30O3/c19-16-11-7-5-3-1-2-4-6-8-13-18(20)21-17-12-9-10-15(17)14-16/h15,17H,1-14H2/t15-,17-/m0/s1
InChIKey DWIYFUILQUWJCH-RDJZCZTQSA-N
SMILES C1(O[C@@]2([C@](CC(CCCCCCCCCC1)=O)(CCC2)[H])[H])=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.965967