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1,2-Cyclopentanediacetic acid, .alpha.,.alpha.'-bis[(1,1-dimethylethoxy)carbonyl]-4-oxo-, diethyl ester
SpectraBase Compound ID DSzpEiinQAZ
InChI InChI=1S/C23H36O9/c1-9-29-18(25)16(20(27)31-22(3,4)5)14-11-13(24)12-15(14)17(19(26)30-10-2)21(28)32-23(6,7)8/h14-17H,9-12H2,1-8H3
InChIKey WSRPEWLJCWMOJG-UHFFFAOYSA-N
Mol Weight 456.5 g/mol
Molecular Formula C23H36O9
Exact Mass 456.235933 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DwbyWS88zdf
Name 1,2-Cyclopentanediacetic acid, .alpha.,.alpha.'-bis[(1,1-dimethylethoxy)carbonyl]-4-oxo-, diethyl ester
Alternate Name(s) 1-tert-Butyl 3-ethyl 2-{2-[2-tert-butoxy-1-(ethoxycarbonyl)-2-oxoethyl]-4-oxocyclopentyl}malonate Di-tert-butylester of .alpha.,.alpha.'-Bis(ethoxycarbonyl)-4-oxo-1,2-cyclopentadiacetic acid
CAS Registry Number 62359-85-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H36O9
InChI InChI=1S/C23H36O9/c1-9-29-18(25)16(20(27)31-22(3,4)5)14-11-13(24)12-15(14)17(19(26)30-10-2)21(28)32-23(6,7)8/h14-17H,9-12H2,1-8H3
InChIKey WSRPEWLJCWMOJG-UHFFFAOYSA-N
Molecular Weight 456.532 g/mol
SMILES C(C(OC(C)(C)C)=O)(C1C(C(C(OC(C)(C)C)=O)C(=O)OCC)CC(C1)=O)C(=O)OCC
SPLASH splash10-02ta-0950000000-a76e2fb17365ad2cd6a1
Source of Spectrum K-110-151-0
Wiley ID 1389228