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3,6,9,12,15-pentaoxabicyclo[15.3.1]heneicosa-1(21),17,19-triene-18,20-dicarboxylic acid diethyl ester
SpectraBase Compound ID 9HvyXZmAyRu
InChI InChI=1S/C22H32O9/c1-3-30-21(23)19-14-20(22(24)31-4-2)18-13-17(19)15-28-11-9-26-7-5-25-6-8-27-10-12-29-16-18/h13-14H,3-12,15-16H2,1-2H3
InChIKey DXKBGKBIGQJGLO-UHFFFAOYSA-N
Mol Weight 440.5 g/mol
Molecular Formula C22H32O9
Exact Mass 440.204633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GxXcjxz6lF2
Name 3,6,9,12,15-pentaoxabicyclo[15.3.1]heneicosa-1(21),17,19-triene-18,20-dicarboxylic acid diethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H32O9
InChI InChI=1S/C22H32O9/c1-3-30-21(23)19-14-20(22(24)31-4-2)18-13-17(19)15-28-11-9-26-7-5-25-6-8-27-10-12-29-16-18/h13-14H,3-12,15-16H2,1-2H3
InChIKey DXKBGKBIGQJGLO-UHFFFAOYSA-N
Molecular Weight 440.489 g/mol
SMILES c1(cc(C(=O)OCC)c2cc1COCCOCCOCCOCCOC2)C(=O)OCC
SPLASH splash10-000f-7964000000-ab174ad1f4bbde710b4e
Source of Spectrum D1-1996-431-8
Synonyms Diethyl 3,6,9,12,15-pentaoxabicyclo[15.3.1]henicosa-1(21),17,19-triene-18,20-dicarboxylate
Wiley ID 834786