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(1S,2S)-Ethyl 2-[2-(2-oxopropyl)cyclohexyl]ethanoate
SpectraBase Compound ID KYcnzO2rb8J
InChI InChI=1S/C13H22O3/c1-3-16-13(15)9-12-7-5-4-6-11(12)8-10(2)14/h11-12H,3-9H2,1-2H3/t11-,12-/m0/s1
InChIKey XLXYLDFKEIRGJS-RYUDHWBXSA-N
Mol Weight 226.32 g/mol
Molecular Formula C13H22O3
Exact Mass 226.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2P1AxTc3ls5
Name (1S,2S)-Ethyl 2-[2-(2-oxopropyl)cyclohexyl]ethanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O3
InChI InChI=1S/C13H22O3/c1-3-16-13(15)9-12-7-5-4-6-11(12)8-10(2)14/h11-12H,3-9H2,1-2H3/t11-,12-/m0/s1
InChIKey XLXYLDFKEIRGJS-RYUDHWBXSA-N
Molecular Weight 226.316 g/mol
SMILES C(C[C@]1([C@](CC(=O)C)(CCCC1)[H])[H])(=O)OCC
SPLASH splash10-015a-9400000000-685eb1050486ca46b097
Source of Spectrum C-119-8785-33
Synonyms Ethyl[(1S,2S)-2-(2-oxopropyl)cyclohexyl]acetate trans-Ethyl 2-[2-(2-oxo-propyl)cyclohexyl]ethanoate
Wiley ID 760623