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Hexyl-malonic acid, diethyl ester
SpectraBase Compound ID FBM5mR9bJ3y
InChI InChI=1S/C13H24O4/c1-4-7-8-9-10-11(12(14)16-5-2)13(15)17-6-3/h11H,4-10H2,1-3H3
InChIKey HSHMTDVEKPAEGS-UHFFFAOYSA-N
Mol Weight 244.33 g/mol
Molecular Formula C13H24O4
Exact Mass 244.167459 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ICwBUOLyIhj
Name Hexyl-malonic acid, diethyl ester
CAS Registry Number 5398-10-7
Comments SHIFTCORRECTION: +0.3 PPM (A.H.)
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Formula C13H24O4
InChI InChI=1S/C13H24O4/c1-4-7-8-9-10-11(12(14)16-5-2)13(15)17-6-3/h11H,4-10H2,1-3H3
InChIKey HSHMTDVEKPAEGS-UHFFFAOYSA-N
Instrument Name Bruker WH-400
Literature Reference H. Noguchi, P.H. Harrison, K.Arai, J. Am. Chem. Soc. 110, 2938 (1988).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3