Isobenzofuro[5,4-b]benzofuran-1,3-dione, 3a,4,10b,10c-tetrahydro-5-phenyl-, (3a.alpha.,10b.alpha.,10c.alpha.)-(.+-.)-

SpectraBase Compound ID	G2uwCrS4Y4W
InChI	InChI=1S/C20H14O4/c21-19-14-10-13(11-6-2-1-3-7-11)18-16(17(14)20(22)24-19)12-8-4-5-9-15(12)23-18/h1-9,14,16-17H,10H2/t14-,16-,17-/m0/s1
InChIKey	MRCBXDWVTFKYEY-XIRDDKMYSA-N Google Search
Mol Weight	318.33 g/mol
Molecular Formula	C20H14O4
Exact Mass	318.089209 g/mol

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SpectraBase Spectrum ID	CZXRiIiKtXe
Name	Isobenzofuro[5,4-B]benzofuran-1,3-dione, 3A,4,10B,10C-tetrahydro-5-phenyl-, (3A.alpha.,10B.alpha.,10C.alpha.)-(.+-.)-
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	318.089208927 u
Formula	C20H14O4
InChI	InChI=1S/C20H14O4/c21-19-14-10-13(11-6-2-1-3-7-11)18-16(17(14)20(22)24-19)12-8-4-5-9-15(12)23-18/h1-9,14,16-17H,10H2/t14-,16-,17-/m0/s1
InChIKey	MRCBXDWVTFKYEY-XIRDDKMYSA-N
Molecular Weight	318.328 g/mol
SMILES	C1=2[C@]([C@]3(C(OC([C@]3(CC2C=2C=CC=CC2)[H])=O)=O)[H])(C=2C=CC=CC2O1)[H]
Spectrum/Structure Validation Score (Vapor Phase IR)	0.812031