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6-HYDROXY-1-(4'-METHYL-2',6',7'-TRIOXABICYCLO-[2.2.2]-OCTYL)-HEX-1-YN-3-ONE
SpectraBase Compound ID 1nEvwVaRXlv
InChI InChI=1S/C12H16O5/c1-11-7-15-12(16-8-11,17-9-11)5-4-10(14)3-2-6-13/h13H,2-3,6-9H2,1H3
InChIKey FMFYZMCZYJSBRM-UHFFFAOYSA-N
Mol Weight 240.25 g/mol
Molecular Formula C12H16O5
Exact Mass 240.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5AeVZ1U2Cq8
Name 4-Hydroxy-1-(4'-methyl-2',6',7'-trioxabicyclo[2,2,2]octyl)-hex-1-yn-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O5
InChI InChI=1S/C12H16O5/c1-11-7-15-12(16-8-11,17-9-11)5-4-10(14)3-2-6-13/h13H,2-3,6-9H2,1H3
InChIKey FMFYZMCZYJSBRM-UHFFFAOYSA-N
Molecular Weight 240.255 g/mol
SMILES OCCCC(C#CC12OCC(CO2)(C)CO1)=O
SPLASH splash10-022i-9500000000-b1c143082cfad6d03b0a
Source of Spectrum B-53-849-8
Synonyms 6-Hydroxy-1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]oct-1-yl)-1-hexyn-3-one
Wiley ID 810967