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5,5a,6a,7,12,12a,13a,14-octahydropentacene-6,13-dione
SpectraBase Compound ID 8tk3Sx2IO6C
InChI InChI=1S/C22H20O2/c23-21-17-9-13-5-1-2-6-14(13)10-18(17)22(24)20-12-16-8-4-3-7-15(16)11-19(20)21/h1-8,17-20H,9-12H2
InChIKey OXCCNBROJITSOU-UHFFFAOYSA-N
Mol Weight 316.4 g/mol
Molecular Formula C22H20O2
Exact Mass 316.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 66EIlMGqHD7
Name 5,5a,6a,7,12,12a,13a,14-octahydropentacene-6,13-dione
Alternate Name(s) 5,5a,6a,7,12,12a,13a,14-octahydropentacene-6,13-quinone
CAS Registry Number 120086-22-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20O2
InChI InChI=1S/C22H20O2/c23-21-17-9-13-5-1-2-6-14(13)10-18(17)22(24)20-12-16-8-4-3-7-15(16)11-19(20)21/h1-8,17-20H,9-12H2
InChIKey OXCCNBROJITSOU-UHFFFAOYSA-N
Molecular Weight 316.400 g/mol
SMILES C12C(C(=O)C3C(C2=O)Cc2c(cccc2)C3)Cc2c(C1)cccc2
SPLASH splash10-0006-0900000000-fb74bf4d5a07c699c9bb
Source of Spectrum J-54-2567-7
Wiley ID 1317353