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1,2-Cyclopentanediacetic acid, .alpha.-acetyl-.alpha.'-[(1,1-dimethylethoxy)carbonyl]-4-oxo-, .alpha.-(1,1-dimethylethyl) .alpha.'-ethyl ester
SpectraBase Compound ID 7x8ffvhNI7N
InChI InChI=1S/C22H34O8/c1-9-21(16(25)26,18(29)30-20(6,7)8)14-10-13(24)11-15(14)22(12(2)23,17(27)28)19(3,4)5/h14-15H,9-11H2,1-8H3,(H,25,26)(H,27,28)
InChIKey ULHBSQFAJLKFKW-UHFFFAOYSA-N
Mol Weight 426.5 g/mol
Molecular Formula C22H34O8
Exact Mass 426.225368 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2EQa5aDRPQU
Name 1,2-Cyclopentanediacetic acid, .alpha.-acetyl-.alpha.'-[(1,1-dimethylethoxy)carbonyl]-4-oxo-, .alpha.-(1,1-dimethylethyl) .alpha.'-ethyl ester
Alternate Name(s) 2-Acetyl-2-{2-[1-(tert-butoxycarbonyl)-1-carboxypropyl]-4-oxocyclopentyl}-3,3-dimethylbutanoic acid Di-tert-butylester of .alpha.-acetyl-.alpha.'-Ethoxylcarbonyl-4-oxo-1,2-cyclopentane diacetic acid
CAS Registry Number 62359-89-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H34O8
InChI InChI=1S/C22H34O8/c1-9-21(16(25)26,18(29)30-20(6,7)8)14-10-13(24)11-15(14)22(12(2)23,17(27)28)19(3,4)5/h14-15H,9-11H2,1-8H3,(H,25,26)(H,27,28)
InChIKey ULHBSQFAJLKFKW-UHFFFAOYSA-N
Molecular Weight 426.506 g/mol
SMILES OC(C(C1C(C(C(=O)O)(C(OC(C)(C)C)=O)CC)CC(C1)=O)(C(C)(C)C)C(=O)C)=O
SPLASH splash10-02u0-4981000000-d23fe1ccded5ff3ccbd7
Source of Spectrum K-110-151-0
Wiley ID 1379873