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2,3-Di-n-hexadecyloxypentacene-5,14-quinone
SpectraBase Compound ID C8P7mJi0yV4
InChI InChI=1S/C54H76O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-35-57-51-41-49-50(42-52(51)58-36-32-28-26-24-22-20-18-16-14-12-10-8-6-4-2)54(56)48-40-46-38-44-34-30-29-33-43(44)37-45(46)39-47(48)53(49)55/h29-30,33-34,37-42H,3-28,31-32,35-36H2,1-2H3
InChIKey BVWZIYHUEVYVCO-UHFFFAOYSA-N
Mol Weight 789.2 g/mol
Molecular Formula C54H76O4
Exact Mass 788.574361 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IbGilpmqLLv
Name 2,3-Di-n-hexadecyloxypentacene-5,14-quinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C54H76O4
InChI InChI=1S/C54H76O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-35-57-51-41-49-50(42-52(51)58-36-32-28-26-24-22-20-18-16-14-12-10-8-6-4-2)54(56)48-40-46-38-44-34-30-29-33-43(44)37-45(46)39-47(48)53(49)55/h29-30,33-34,37-42H,3-28,31-32,35-36H2,1-2H3
InChIKey BVWZIYHUEVYVCO-UHFFFAOYSA-N
Molecular Weight 789.198 g/mol
SMILES c12c(C(=O)c3c(C2=O)cc(c(OCCCCCCCCCCCCCCCC)c3)OCCCCCCCCCCCCCCCC)cc2c(c1)cc1c(cccc1)c2
SPLASH splash10-000i-0003010900-82787c083b0842818a86
Source of Spectrum F4-0-3506-11
Synonyms 2,3-bis(hexadecyloxy)-5,14-pentacenedione
Wiley ID 1619126