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Glutaric acid, ethyl 3-oxobut-2-yl ester
SpectraBase Compound ID 6W1Qj1NvgiA
InChI InChI=1S/C11H18O5/c1-4-15-10(13)6-5-7-11(14)16-9(3)8(2)12/h9H,4-7H2,1-3H3
InChIKey JYIIATMIXBDCJC-UHFFFAOYSA-N
Mol Weight 230.26 g/mol
Molecular Formula C11H18O5
Exact Mass 230.115424 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4eHnABfiTwO
Name Glutaric acid, ethyl 3-oxobut-2-yl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 230.115423675 u
Formula C11H18O5
InChI InChI=1S/C11H18O5/c1-4-15-10(13)6-5-7-11(14)16-9(3)8(2)12/h9H,4-7H2,1-3H3
InChIKey JYIIATMIXBDCJC-UHFFFAOYSA-N
Molecular Weight 230.260 g/mol
SMILES CC(C(OC(CCCC(OCC)=O)=O)C)=O