2,13-Dibromo-1,14-dimethoxydibenzo[4,5:6,7]-cyclohepta[1,2,3-de]-naphthalene

SpectraBase Compound ID	KdoGbPvUiLn
InChI	InChI=1S/C24H16Br2O2/c1-27-23-18(25)11-9-16-14-7-3-5-13-6-4-8-15(20(13)14)17-10-12-19(26)24(28-2)22(17)21(16)23/h3-12H,1-2H3
InChIKey	SJBCLPQAXLYPDG-UHFFFAOYSA-N Google Search
Mol Weight	496.2 g/mol
Molecular Formula	C24H16Br2O2
Exact Mass	493.951706 g/mol

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SpectraBase Spectrum ID	8bMFz8Plxv1
Name	2,13-Dibromo-1,14-dimethoxydibenzo[4,5:6,7]-cyclohepta[1,2,3-de]-naphthalene
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	493.951705753 u
Formula	C24H16Br2O2
InChI	InChI=1S/C24H16Br2O2/c1-27-23-18(25)11-9-16-14-7-3-5-13-6-4-8-15(20(13)14)17-10-12-19(26)24(28-2)22(17)21(16)23/h3-12H,1-2H3
InChIKey	SJBCLPQAXLYPDG-UHFFFAOYSA-N
Molecular Weight	496.198 g/mol
SMILES	C=1C=CC=2C=CC=C3C4=C(C5=C(C1C23)C=CC(=C5OC)Br)C(=C(C=C4)Br)OC
Spectrum/Structure Validation Score (Vapor Phase IR)	0.862624