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16,21,34,39-tetraoxadibenzo[18,19:36,37]tetrapentacontan-1,2,52,53-tetraene-4,51-dione
SpectraBase Compound ID LN81uDq9iQP
InChI InChI=1S/C58H90O6/c1-3-37-57(59)43-27-21-15-9-7-13-19-25-35-47-63-51-55-41-31-29-39-53(55)49-61-45-33-23-17-11-5-6-12-18-24-34-46-62-50-54-40-30-32-42-56(54)52-64-48-36-26-20-14-8-10-16-22-28-44-58(60)38-4-2/h29-32,37-42H,1-2,5-28,33-36,43-52H2
InChIKey NKHQCHLTSSYHIW-UHFFFAOYSA-N
Mol Weight 883.4 g/mol
Molecular Formula C58H90O6
Exact Mass 882.673741 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 44aEQVo9Y
Name 16,21,34,39-tetraoxadibenzo[18,19:36,37]tetrapentacontan-1,2,52,53-tetraene-4,51-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C58H90O6
InChI InChI=1S/C58H90O6/c1-3-37-57(59)43-27-21-15-9-7-13-19-25-35-47-63-51-55-41-31-29-39-53(55)49-61-45-33-23-17-11-5-6-12-18-24-34-46-62-50-54-40-30-32-42-56(54)52-64-48-36-26-20-14-8-10-16-22-28-44-58(60)38-4-2/h29-32,37-42H,1-2,5-28,33-36,43-52H2
InChIKey NKHQCHLTSSYHIW-UHFFFAOYSA-N
Molecular Weight 883.352 g/mol
SMILES C(=C=C)C(=O)CCCCCCCCCCCOCc1c(COCCCCCCCCCCCCOCc2c(COCCCCCCCCCCCC(C=C=C)=O)cccc2)cccc1
SPLASH splash10-0596-0914000000-a0a39ee95f68d253b017
Source of Spectrum K1-2004-1933-24
Wiley ID 1560707