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Ethyl ester of (R*,R*)-.alpha.-acetyl-3-oxo-cyclooctaneacetic acid
SpectraBase Compound ID 7IoL63CcwJC
InChI InChI=1S/C14H22O4/c1-3-18-14(17)13(10(2)15)11-7-5-4-6-8-12(16)9-11/h11,13H,3-9H2,1-2H3/t11-,13+/m1/s1
InChIKey ZMXREGYKDOODBN-YPMHNXCESA-N
Mol Weight 254.33 g/mol
Molecular Formula C14H22O4
Exact Mass 254.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2CQztvFyaxK
Name Ethyl ester of (R*,R*)-.alpha.-acetyl-3-oxo-cyclooctaneacetic acid
Alternate Name(s) Ethyl (2R)-3-oxo-2-[(1R)-3-oxocyclooctyl]butanoate
CAS Registry Number 73274-33-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O4
InChI InChI=1S/C14H22O4/c1-3-18-14(17)13(10(2)15)11-7-5-4-6-8-12(16)9-11/h11,13H,3-9H2,1-2H3/t11-,13+/m1/s1
InChIKey ZMXREGYKDOODBN-YPMHNXCESA-N
Molecular Weight 254.326 g/mol
SMILES [C@@]([C@]1(CC(=O)CCCCC1)[H])(C(=O)OCC)(C(=O)C)[H]
SPLASH splash10-0006-9000000000-0548acf13069f76a5301
Source of Spectrum J-45-1804-0
Wiley ID 1257663