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cis-Ethyl 3-[3-Oxo-2-(2-oxoethyl)cyclohexyl]propanoate
SpectraBase Compound ID 9h6WBf1zad4
InChI InChI=1S/C13H20O4/c1-2-17-13(16)7-6-10-4-3-5-12(15)11(10)8-9-14/h9-11H,2-8H2,1H3/t10-,11+/m0/s1
InChIKey BQYUWZCKHNTGCF-WDEREUQCSA-N
Mol Weight 240.3 g/mol
Molecular Formula C13H20O4
Exact Mass 240.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 89zPiradFxF
Name cis-Ethyl 3-[3-Oxo-2-(2-oxoethyl)cyclohexyl]propanoate
Alternate Name(s) Ethyl 3-[(1S,2R)-3-oxo-2-(2-oxoethyl)cyclohexyl]propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O4
InChI InChI=1S/C13H20O4/c1-2-17-13(16)7-6-10-4-3-5-12(15)11(10)8-9-14/h9-11H,2-8H2,1H3/t10-,11+/m0/s1
InChIKey BQYUWZCKHNTGCF-WDEREUQCSA-N
Molecular Weight 240.299 g/mol
SMILES C1([C@@]([C@](CCC(=O)OCC)(CCC1)[H])(CC=O)[H])=O
SPLASH splash10-0a4i-8900000000-0a6c24aecee0ed971676
Source of Spectrum J-61-6436-11
Wiley ID 1242906