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N-Butyl-malonic-acid, mono-methylester
SpectraBase Compound ID 8JJ851CTiuN
InChI InChI=1S/C8H14O4/c1-3-4-5-6(7(9)10)8(11)12-2/h6H,3-5H2,1-2H3,(H,9,10)
InChIKey GIQUGXMHRJYRKI-UHFFFAOYSA-N
Mol Weight 174.2 g/mol
Molecular Formula C8H14O4
Exact Mass 174.089209 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CEhmKKc6l35
Name N-BUTYL-MALONIC-ACID,MONO-METHYLESTER
CAS Registry Number 73891-59-5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H14O4
InChI InChI=1S/C8H14O4/c1-3-4-5-6(7(9)10)8(11)12-2/h6H,3-5H2,1-2H3,(H,9,10)
InChIKey GIQUGXMHRJYRKI-UHFFFAOYSA-N
Literature Reference Author A.NAKAGAWA,H.OHNO,K.MIYANO,S.OMURA
Literature Reference Citation J.ORG.CHEM.,45,3268(1980)
Literature Reference DOI 10.1021/jo01304a025
Molecular Weight 174.197 g/mol
Solvent CDCl3
Source File Reference UNIW21244