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PIMELIC ACID, 4-OXO-, DIETHYL ESTER
SpectraBase Compound ID 4SjTKg9qbsE
InChI InChI=1S/C11H18O5/c1-3-15-10(13)7-5-9(12)6-8-11(14)16-4-2/h3-8H2,1-2H3
InChIKey ZGBUXZJMZBBISR-UHFFFAOYSA-N
Mol Weight 230.26 g/mol
Molecular Formula C11H18O5
Exact Mass 230.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CDBRtgLm02V
Name Heptanedioic acid, 4-oxo-, diethyl ester
Alternate Name(s) Diethyl 4-oxoheptanedioate 4-ketopimelic acid diethyl ester 4-Oxoheptanedioic acid diethyl ester Diethyl .gamma.-ketopimelate Diethyl 4-oxidanylideneheptanedioate Diethyl 4-oxopimelate AI3-06158 EINECS 228-657-0
CAS Registry Number 6317-49-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O5
InChI InChI=1S/C11H18O5/c1-3-15-10(13)7-5-9(12)6-8-11(14)16-4-2/h3-8H2,1-2H3
InChIKey ZGBUXZJMZBBISR-UHFFFAOYSA-N
Molecular Weight 230.260 g/mol
SMILES C(=O)(CCC(OCC)=O)CCC(OCC)=O
SPLASH splash10-004i-9600000000-d31426d6ca7e3f49a2cf
Source of Spectrum NW-1702-0-0
Wiley ID 1231472