trans-4-Bromophenyl-1-phenyl-1,2-dihydronaphtho[2,1-b]furan-2-ylmethanone

SpectraBase Compound ID	5E5GNPSkq81
InChI	InChI=1S/C25H17BrO2/c26-19-13-10-18(11-14-19)24(27)25-22(17-7-2-1-3-8-17)23-20-9-5-4-6-16(20)12-15-21(23)28-25/h1-15,22,25H/t22-,25-/m0/s1
InChIKey	GUFQBALJPGKJGJ-DHLKQENFSA-N Google Search
Mol Weight	429.31 g/mol
Molecular Formula	C25H17BrO2
Exact Mass	428.041193 g/mol

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SpectraBase Spectrum ID	1yEa8xWLwA8
Name	Trans-4-bromophenyl-1-phenyl-1,2-dihydronaphtho[2,1-B]furan-2-ylmethanone
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	428.041192785 u
Formula	C25H17BrO2
InChI	InChI=1S/C25H17BrO2/c26-19-13-10-18(11-14-19)24(27)25-22(17-7-2-1-3-8-17)23-20-9-5-4-6-16(20)12-15-21(23)28-25/h1-15,22,25H/t22-,25-/m0/s1
InChIKey	GUFQBALJPGKJGJ-DHLKQENFSA-N
Molecular Weight	429.313 g/mol
SMILES	C([C@@]1([C@](C=2C3=CC=CC=C3C=CC2O1)(C1=CC=CC=C1)[H])[H])(=O)C1=CC=C(C=C1)Br
Spectrum/Structure Validation Score (Vapor Phase IR)	0.85707