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4'-hexanoylbenzo-15-crown-5

View entire compound with spectra: 1 MS (GC)

4'-hexanoylbenzo-15-crown-5
SpectraBase Compound ID Q43zv8H7FG
InChI InChI=1S/C20H30O6/c1-2-3-4-7-17(21)20-16-26-19-9-6-5-8-18(19)24-14-12-22-10-11-23-13-15-25-20/h5-6,8-9,20H,2-4,7,10-16H2,1H3
InChIKey WVYAROSKSLBXLJ-UHFFFAOYSA-N
Mol Weight 366.45 g/mol
Molecular Formula C20H30O6
Exact Mass 366.204239 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CQzgHlS85s9
Name 4'-hexanoylbenzo-15-crown-5
Alternate Name(s) 1-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-3-yl)-1-hexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O6
InChI InChI=1S/C20H30O6/c1-2-3-4-7-17(21)20-16-26-19-9-6-5-8-18(19)24-14-12-22-10-11-23-13-15-25-20/h5-6,8-9,20H,2-4,7,10-16H2,1H3
InChIKey WVYAROSKSLBXLJ-UHFFFAOYSA-N
Molecular Weight 366.454 g/mol
SMILES c12OCC(OCCOCCOCCOc2cccc1)C(=O)CCCCC
SPLASH splash10-03fr-0923000000-7dfeb0d52172ea4994d1
Source of Spectrum HC-23-738-0
Wiley ID 1351954