5,10,11,12,17,22,23,24-Octahydrotetrabenzo[A,D,I,J]cyclohexadecene 11,11,23,23-tetracarboxylic acid, tetraethyl ester

SpectraBase Compound ID	BBx23sTapE5
InChI	InChI=1S/C44H48O8/c1-5-49-39(45)43(40(46)50-6-2)27-35-21-13-9-17-31(35)25-33-19-11-15-23-37(33)29-44(41(47)51-7-3,42(48)52-8-4)30-38-24-16-12-20-34(38)26-32-18-10-14-22-36(32)28-43/h9-24H,5-8,25-30H2,1-4H3
InChIKey	LOHVAEHFVKMPRI-UHFFFAOYSA-N Google Search
Mol Weight	704.9 g/mol
Molecular Formula	C44H48O8
Exact Mass	704.334918 g/mol

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SpectraBase Spectrum ID	BsVe3McSkHp
Name	5,10,11,12,17,22,23,24-Octahydrotetrabenzo[A,D,I,J]cyclohexadecene 11,11,23,23-tetracarboxylic acid, tetraethyl ester
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	704.334918498 u
Formula	C44H48O8
InChI	InChI=1S/C44H48O8/c1-5-49-39(45)43(40(46)50-6-2)27-35-21-13-9-17-31(35)25-33-19-11-15-23-37(33)29-44(41(47)51-7-3,42(48)52-8-4)30-38-24-16-12-20-34(38)26-32-18-10-14-22-36(32)28-43/h9-24H,5-8,25-30H2,1-4H3
InChIKey	LOHVAEHFVKMPRI-UHFFFAOYSA-N
Molecular Weight	704.860 g/mol
SMILES	C1C(CC=2C=CC=CC2CC=2C=CC=CC2CC(CC=2C=CC=CC2CC=2C=CC=CC12)(C(OCC)=O)C(OCC)=O)(C(OCC)=O)C(OCC)=O
Spectrum/Structure Validation Score (Raman)	0.803188