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erythro-Iodo-(3-methyl-4,5-dihydro-isoxazol-5-yl)- acetic acid, ethyl ester
SpectraBase Compound ID KUK1AuUEtgm
InChI InChI=1S/C8H12INO3/c1-3-12-8(11)7(9)6-4-5(2)10-13-6/h6-7H,3-4H2,1-2H3
InChIKey DLNCJTHUKVEEFQ-UHFFFAOYSA-N
Mol Weight 297.09 g/mol
Molecular Formula C8H12INO3
Exact Mass 296.986188 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3GtEf1O8n8q
Name threo-Iodo-(3-methyl-4,5-dihydro-isoxazol-5-yl)- acetic acid, ethyl ester
Comments from diastereomeric mixture
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Formula C8H12INO3
InChI InChI=1S/C8H12INO3/c1-3-12-8(11)7(9)6-4-5(2)10-13-6/h6-7H,3-4H2,1-2H3
InChIKey DLNCJTHUKVEEFQ-UHFFFAOYSA-N
Instrument Name Jeol FX-100
Literature Reference Z. Gombos, J. Nyitrai, P. Kolonits, J. Chem. Soc. Perkin I 1915 (1989).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3