7,12[1',2']-Benzeno-5,14-epoxypentacene, 2,3-dibromo-5,5a,6,7,12,13,13a,14-octahydro-

SpectraBase Compound ID	4FpDz5aobBL
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-STWXOFSZSA-N Google Search
Mol Weight	532.28 g/mol
Molecular Formula	C28H20Br2O
Exact Mass	529.988091 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	20z1yZIHeZz
Name	7,12[1',2']-Benzeno-5,14-epoxypentacene, 2,3-dibromo-5,5A,6,7,12,13,13A,14-octahydro-
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	529.988091263 u
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-STWXOFSZSA-N
Molecular Weight	532.275 g/mol
SMILES	C=12C([C@]3(C4=C([C@@]2(C2=C3C=CC=C2)[H])C=CC=C4)[H])=CC2C3C4C=C(Br)C(=CC4C(C2C1)O3)Br
Spectrum/Structure Validation Score (Vapor Phase IR)	0.81403