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METHYL-2-(2-IODOBENZYL)-3,3,5-TRIMETHYL-4-OXOHEXANOATE
SpectraBase Compound ID 3I4nAzWHaSU
InChI InChI=1S/C17H23IO3/c1-11(2)15(19)17(3,4)13(16(20)21-5)10-12-8-6-7-9-14(12)18/h6-9,11,13H,10H2,1-5H3
InChIKey TYQYDXJVFUDKTC-UHFFFAOYSA-N
Mol Weight 402.27 g/mol
Molecular Formula C17H23IO3
Exact Mass 402.06919 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Des1OX8mUJC
Name METHYL-2-(2-IODOBENZYL)-3,3,5-TRIMETHYL-4-OXOHEXANOATE
Compound Number SP11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H23IO3
InChI InChI=1S/C17H23IO3/c1-11(2)15(19)17(3,4)13(16(20)21-5)10-12-8-6-7-9-14(12)18/h6-9,11,13H,10H2,1-5H3
InChIKey TYQYDXJVFUDKTC-UHFFFAOYSA-N
Literature Reference Author J.SAADI,I.BRUEDGAM,H.U.REISSIG
Literature Reference Citation BEIL.J.ORG.CHEM.,6,1229(2010)
Literature Reference DOI 10.3762/bjoc.6.141
Molecular Weight 402.272 g/mol
Solvent CDCl3
Source File Reference UWBT10303