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1,2-Cyclopentanediacetic acid, .alpha.,.alpha.'-diacetyl-4-oxo-, bis(1,1-dimethylethyl) ester
SpectraBase Compound ID LF78d7LZw1A
InChI InChI=1S/C21H32O7/c1-11(22)16(18(25)27-20(3,4)5)14-9-13(24)10-15(14)17(12(2)23)19(26)28-21(6,7)8/h14-17H,9-10H2,1-8H3
InChIKey UZNSBXUVBNKAQK-UHFFFAOYSA-N
Mol Weight 396.5 g/mol
Molecular Formula C21H32O7
Exact Mass 396.214803 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2IJ2rdBpSsm
Name 1,2-Cyclopentanediacetic acid, .alpha.,.alpha.'-diacetyl-4-oxo-, bis(1,1-dimethylethyl) ester
Alternate Name(s) Di-tert-butylester of .alpha.,.alpha.'-Diacetyl-4-oxo-1,2-cyclopentanediacetic acid tert-Butyl 2-{2-[1-(tert-butoxycarbonyl)-2-oxopropyl]-4-oxocyclopentyl}-3-oxobutanoate
CAS Registry Number 62359-84-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O7
InChI InChI=1S/C21H32O7/c1-11(22)16(18(25)27-20(3,4)5)14-9-13(24)10-15(14)17(12(2)23)19(26)28-21(6,7)8/h14-17H,9-10H2,1-8H3
InChIKey UZNSBXUVBNKAQK-UHFFFAOYSA-N
Molecular Weight 396.480 g/mol
SMILES C(C(C1C(C(C(OC(C)(C)C)=O)C(=O)C)CC(C1)=O)C(=O)C)(OC(C)(C)C)=O
SPLASH splash10-00kr-0091000000-e992fe3ce0a3260b1232
Source of Spectrum K-110-150-0
Wiley ID 1367422