2,7-Bis[3,4-(methylenedioxy)phenyl]-3,8-dioxobicyclo[4.4.0]decane-4,9-dione

SpectraBase Compound ID	5ThQHfnVpTW
InChI	InChI=1S/C22H18O8/c23-19-8-14-13(21(29-19)11-1-3-15-17(5-11)27-9-25-15)7-20(24)30-22(14)12-2-4-16-18(6-12)28-10-26-16/h1-6,13-14,21-22H,7-10H2/t13-,14-,21+,22+/m0/s1
InChIKey	KMQQODBKMMDEOT-HCIHMXRSSA-N Google Search
Mol Weight	410.38 g/mol
Molecular Formula	C22H18O8
Exact Mass	410.100168 g/mol

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SpectraBase Spectrum ID	7W6UTXUs4KR
Name	2,7-bis[3,4-(Methylenedioxy)phenyl]-3,8-dioxobicyclo[4.4.0]decane-4,9-dione
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	410.100167532 u
Formula	C22H18O8
InChI	InChI=1S/C22H18O8/c23-19-8-14-13(21(29-19)11-1-3-15-17(5-11)27-9-25-15)7-20(24)30-22(14)12-2-4-16-18(6-12)28-10-26-16/h1-6,13-14,21-22H,7-10H2/t13-,14-,21+,22+/m0/s1
InChIKey	KMQQODBKMMDEOT-HCIHMXRSSA-N
Molecular Weight	410.378 g/mol
SMILES	[C@@]12([C@@]([C@@](C3=CC=4OCOC4C=C3)(OC(C2)=O)[H])(CC(O[C@@]1(C1=CC=2OCOC2C=C1)[H])=O)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR)	0.829512