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3-acetyl-4-keto-pimelic acid diethyl ester
SpectraBase Compound ID 7h9vCc5n6nf
InChI InChI=1S/C13H20O6/c1-4-18-12(16)7-6-11(15)10(9(3)14)8-13(17)19-5-2/h10H,4-8H2,1-3H3
InChIKey HLNYHTZVYKVAGV-UHFFFAOYSA-N
Mol Weight 272.3 g/mol
Molecular Formula C13H20O6
Exact Mass 272.125988 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3eksa6Xxq9
Name 3-Acetyl-4-oxoheptanedioic acid, diethyl ester
CAS Registry Number 17266-68-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O6
InChI InChI=1S/C13H20O6/c1-4-18-12(16)7-6-11(15)10(9(3)14)8-13(17)19-5-2/h10H,4-8H2,1-3H3
InChIKey HLNYHTZVYKVAGV-UHFFFAOYSA-N
Molecular Weight 272.297 g/mol
SMILES C(=O)(CCC(OCC)=O)C(C(=O)C)CC(=O)OCC
SPLASH splash10-0fb9-8900000000-7f657486cd0f7aea1c51
Synonyms 3-Acetyl-4-keto-pimelic acid diethyl ester Diethyl 3-acetyl-4-oxo-heptanedioate Diethyl 3-ethanoyl-4-oxidanylidene-heptanedioate 3-Acetyl-4-oxoheptanedioic acid diethyl ester
Wiley ID 1482173