Propanedioic acid, 2-iodo-3-[(4-methoxyphenyl)methoxy]propyl methyl ester, (R)-

SpectraBase Compound ID	CG1zeahFvjQ
InChI	InChI=1S/C15H19IO6/c1-20-12-5-3-10(4-6-12)8-22-9-11(16)7-13(14(17)18)15(19)21-2/h3-6,11,13H,7-9H2,1-2H3,(H,17,18)
InChIKey	FIRBWQRTEBMHOO-UHFFFAOYSA-N Google Search
Mol Weight	422.22 g/mol
Molecular Formula	C15H19IO6
Exact Mass	422.022633 g/mol

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SpectraBase Spectrum ID	FSqHBpFIQNH
Name	Propanedioic acid, 2-iodo-3-[(4-methoxyphenyl)methoxy]propyl methyl ester, (R)-
Alternate Name(s)	4-iodo-5-[(4-methoxybenzyl)oxy]-2-(methoxycarbonyl)pentanoic acid Methyl[2-iodo-3-(4-methoxy-benzyloxy)-propyl]malonate
CAS Registry Number	131072-40-7
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C15H19IO6
InChI	InChI=1S/C15H19IO6/c1-20-12-5-3-10(4-6-12)8-22-9-11(16)7-13(14(17)18)15(19)21-2/h3-6,11,13H,7-9H2,1-2H3,(H,17,18)
InChIKey	FIRBWQRTEBMHOO-UHFFFAOYSA-N
Molecular Weight	422.215 g/mol
SMILES	OC(C(C(=O)OC)CC(I)COCc1ccc(cc1)OC)=O
SPLASH	splash10-00di-0900000000-667a29b3fabac3cc04a9
Source of Spectrum	F-46-5984-32
Wiley ID	1378435