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7,12[1',2']-Benzeno-5,14-epoxypentacene, 2,3-dibromo-5,5a,6,7,12,13,13a,14-octahydro-
SpectraBase Compound ID 8wQsgMXCNap
InChI InChI=1S/C28H20Br2O/c29-23-11-21-22(12-24(23)30)28-20-10-18-17(9-19(20)27(21)31-28)25-13-5-1-2-6-14(13)26(18)16-8-4-3-7-15(16)25/h1-12,19-22,25-28H/t19?,20?,21?,22?,25-,26+,27?,28?
InChIKey VCYPQGKBUSUBJY-UHFFFAOYSA-N
Mol Weight 532.28 g/mol
Molecular Formula C28H20Br2O
Exact Mass 529.988091 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DHnfsPgfDew
Name 7,12[1',2']-Benzeno-5,14-epoxypentacene, 2,3-dibromo-5,5a,6,7,12,13,13a,14-octahydro-
CAS Registry Number 106750-35-0
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H20Br2O
InChI InChI=1S/C28H20Br2O/c29-23-11-21-22(12-24(23)30)28-20-10-18-17(9-19(20)27(21)31-28)25-13-5-1-2-6-14(13)26(18)16-8-4-3-7-15(16)25/h1-12,19-22,25-28H/t19?,20?,21?,22?,25-,26+,27?,28?
InChIKey VCYPQGKBUSUBJY-UHFFFAOYSA-N
Molecular Weight 532.275 g/mol
SMILES C=12C([C@]3(c4c([C@@]2(c2c3cccc2)[H])cccc4)[H])=CC2C3C4C=C(Br)C(=CC4C(C2C1)O3)Br
SPLASH splash10-056r-0390000000-2a74f28d96f884b84089
Source of Spectrum F-42-1653-58
Synonyms 5,14[1',2']-benzeno-7,12-epoxy-9,10-dibromo-6a,12a,5,14,7,12-hexahydro-pentacene 8,9-Dibromo-29-oxaoctacyclo[14.6.6.1(5,12).0(2,15).0(4,13).0(6,11).0(17,22).0(23,28)]nonacosa-2,7,9,14,17,19,21,23,25,27-decaene
Wiley ID 1403316