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Methyl 3-(3-carboxy-2-iodomethylpropyl)-1-methyl-2-oxocyclohex-3-eneecarboxylate
SpectraBase Compound ID KNFE2WN4Knv
InChI InChI=1S/C14H19IO5/c1-14(13(19)20-2)5-3-4-10(12(14)18)6-9(8-15)7-11(16)17/h4,9H,3,5-8H2,1-2H3,(H,16,17)
InChIKey LKAYCCJISNGIFQ-UHFFFAOYSA-N
Mol Weight 394.21 g/mol
Molecular Formula C14H19IO5
Exact Mass 394.027719 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FICV1lZv668
Name Methyl 3-(3-carboxy-2-iodomethylpropyl)-1-methyl-2-oxocyclohex-3-eneecarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H19IO5
InChI InChI=1S/C14H19IO5/c1-14(13(19)20-2)5-3-4-10(12(14)18)6-9(8-15)7-11(16)17/h4,9H,3,5-8H2,1-2H3,(H,16,17)
InChIKey LKAYCCJISNGIFQ-UHFFFAOYSA-N
Molecular Weight 394.205 g/mol
SMILES OC(CC(CC=1C(C(C(=O)OC)(CCC1)C)=O)CI)=O
SPLASH splash10-00ko-7982000000-ee03dd689c6ddd04ef02
Source of Spectrum F-50-6856-30
Synonyms 4-iodo-3-{[5-(methoxycarbonyl)-5-methyl-6-oxo-1-cyclohexen-1-yl]methyl}butanoic acid
Wiley ID 1366415