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Nonanoic acid, 3-oxo-, ethyl ester
SpectraBase Compound ID DMzCCrZXZk4
InChI InChI=1S/C11H20O3/c1-3-5-6-7-8-10(12)9-11(13)14-4-2/h3-9H2,1-2H3
InChIKey ZQZBPLVTKYAPOF-UHFFFAOYSA-N
Mol Weight 200.28 g/mol
Molecular Formula C11H20O3
Exact Mass 200.141245 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IejvLaTzyxo
Name Nonanoic acid, 3-oxo-, ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 200.141244501 u
Formula C11H20O3
InChI InChI=1S/C11H20O3/c1-3-5-6-7-8-10(12)9-11(13)14-4-2/h3-9H2,1-2H3
InChIKey ZQZBPLVTKYAPOF-UHFFFAOYSA-N
Molecular Weight 200.278 g/mol
SMILES C(C(CCCCCC)=O)C(OCC)=O