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(1S,14S)-13-oxabicyclo[12.4.0]octadecane-3,12-dione
SpectraBase Compound ID IkZ0a2EP4hl
InChI InChI=1S/C17H28O3/c18-15-10-5-3-1-2-4-6-12-17(19)20-16-11-8-7-9-14(16)13-15/h14,16H,1-13H2/t14-,16-/m0/s1
InChIKey NRXDKKBXVONAQX-HOCLYGCPSA-N
Mol Weight 280.41 g/mol
Molecular Formula C17H28O3
Exact Mass 280.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JWZidaUheWy
Name (1S,14S)-13-oxabicyclo[12.4.0]octadecane-3,12-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H28O3
InChI InChI=1S/C17H28O3/c18-15-10-5-3-1-2-4-6-12-17(19)20-16-11-8-7-9-14(16)13-15/h14,16H,1-13H2/t14-,16-/m0/s1
InChIKey NRXDKKBXVONAQX-HOCLYGCPSA-N
Molecular Weight 280.408 g/mol
SMILES C1(O[C@@]2([C@](CC(CCCCCCCC1)=O)(CCCC2)[H])[H])=O
SPLASH splash10-0002-9470000000-a83d51006ad93c88a6bd
Source of Spectrum F-55-7202-8
Synonyms (1S,14S)-13-oxabicyclo[12.4.0]octadecane-3,12-quinone
Wiley ID 838116