(2S,8R) 2,8-Bis(2-chlorophenyl)-2,3,7,8-tetrahydro-4,6-dioxo-4H,6H-benzo[1,2-b:5,4-b']dipyran

SpectraBase Compound ID	4GuYspPuLUr
InChI	InChI=1S/C24H16Cl2O4/c25-17-7-3-1-5-13(17)21-10-19(27)15-9-16-20(28)11-22(14-6-2-4-8-18(14)26)30-24(16)12-23(15)29-21/h1-9,12,21-22H,10-11H2/t21-,22+
InChIKey	PLYYTDYCGXGXNU-SZPZYZBQSA-N Google Search
Mol Weight	439.29 g/mol
Molecular Formula	C24H16Cl2O4
Exact Mass	438.042564 g/mol

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SpectraBase Spectrum ID	GWnV9N3ijT4
Name	(2S,8R) 2,8-bis(2-Chlorophenyl)-2,3,7,8-tetrahydro-4,6-dioxo-4H,6H-benzo[1,2-B:5,4-B']dipyran
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	438.042564391 u
Formula	C24H16Cl2O4
InChI	InChI=1S/C24H16Cl2O4/c25-17-7-3-1-5-13(17)21-10-19(27)15-9-16-20(28)11-22(14-6-2-4-8-18(14)26)30-24(16)12-23(15)29-21/h1-9,12,21-22H,10-11H2/t21-,22+
InChIKey	PLYYTDYCGXGXNU-SZPZYZBQSA-N
Molecular Weight	439.294 g/mol
SMILES	C12=C(O[C@@](CC2=O)(C=2C(Cl)=CC=CC2)[H])C=C2C(=C1)C(C[C@@](C=1C(Cl)=CC=CC1)([H])O2)=O
Spectrum/Structure Validation Score (Vapor Phase IR)	0.951306