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5,5a,6,13,13a,14-hexahydropentacene 6,13-endoxide
SpectraBase Compound ID BKqBGfSyHii
InChI InChI=1S/C22H18O/c1-2-6-14-10-18-17(9-13(14)5-1)21-19-11-15-7-3-4-8-16(15)12-20(19)22(18)23-21/h1-10,19-22H,11-12H2
InChIKey BJDIAHOVVNYJBN-UHFFFAOYSA-N
Mol Weight 298.38 g/mol
Molecular Formula C22H18O
Exact Mass 298.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2G6dJWztcse
Name 5,5a,6,13,13a,14-hexahydropentacene 6,13-endoxide
CAS Registry Number 110372-77-5
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H18O
InChI InChI=1S/C22H18O/c1-2-6-14-10-18-17(9-13(14)5-1)21-19-11-15-7-3-4-8-16(15)12-20(19)22(18)23-21/h1-10,19-22H,11-12H2
InChIKey BJDIAHOVVNYJBN-UHFFFAOYSA-N
Molecular Weight 298.385 g/mol
SMILES C12c3c(cc4c(c3)cccc4)C(O2)C2C1Cc1c(cccc1)C2
SPLASH splash10-014i-0900000000-ed5cf443f9ecf2f11e05
Source of Spectrum J-52-4835-11
Synonyms 23-oxahexacyclo[10.10.1.0(2,11).0(4,9).0(13,22).0(15,20)]tricosa-2,4,6,8,10,15,17,19-octaene
Wiley ID 1301633