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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
Mol Weight 422.22 g/mol
Molecular Formula C15H19IO6
Exact Mass 422.022633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FSqHBpFIQNH
Name Propanedioic acid, 2-iodo-3-[(4-methoxyphenyl)methoxy]propyl methyl ester, (R)-
CAS Registry Number 131072-40-7
Comments Less than 3 mono-isotopic peaks
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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
Synonyms 4-iodo-5-[(4-methoxybenzyl)oxy]-2-(methoxycarbonyl)pentanoic acid Methyl[2-iodo-3-(4-methoxy-benzyloxy)-propyl]malonate
Wiley ID 1378435