2,3-Bis(diphenylphosphino)maleic acid diethyl ether complex (1:2)

SpectraBase Compound ID	6Bajggma9o9
InChI	InChI=1S/C28H22O4P2.2C4H10O/c29-27(30)25(33(21-13-5-1-6-14-21)22-15-7-2-8-16-22)26(28(31)32)34(23-17-9-3-10-18-23)24-19-11-4-12-20-24;21-3-5-4-2/h1-20H,(H,29,30)(H,31,32);23-4H2,1-2H3/b26-25-;;
InChIKey	LGAJDJDXPKCGHM-IEZULETDSA-N Google Search
Mol Weight	632.67 g/mol
Molecular Formula	C36H42O6P2
Exact Mass	632.245663 g/mol

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SpectraBase Spectrum ID	4L3de4XdhXN
Name	2,3-bis(Diphenylphosphino)maleic acid diethyl ether complex (1:2)
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	632.245663062 u
Formula	C36H42O6P2
InChI	InChI=1S/C28H22O4P2.2C4H10O/c29-27(30)25(33(21-13-5-1-6-14-21)22-15-7-2-8-16-22)26(28(31)32)34(23-17-9-3-10-18-23)24-19-11-4-12-20-24;21-3-5-4-2/h1-20H,(H,29,30)(H,31,32);23-4H2,1-2H3/b26-25-;;
InChIKey	LGAJDJDXPKCGHM-IEZULETDSA-N
Molecular Weight	632.674 g/mol
SMILES	C(OCC)C.C=1(P(\C(=C\(P(C=2C=CC=CC2)C=2C=CC=CC2)C(=O)O)C(=O)O)C2=CC=CC=C2)C=CC=CC1.C(OCC)C
Spectrum/Structure Validation Score (Raman)	0.856217