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(+/-)-(1S*,3R*)-ETHYL-3-(2'-HYDROXYETHYL)-5-OXO-CYCLOHEXYL-CARBOXYLATE
SpectraBase Compound ID HhsV8jHGITP
InChI InChI=1S/C11H18O4/c1-2-15-11(14)9-5-8(3-4-12)6-10(13)7-9/h8-9,12H,2-7H2,1H3/t8-,9-/m0/s1
InChIKey QILKHSWKTPOJBM-IUCAKERBSA-N
Mol Weight 214.26 g/mol
Molecular Formula C11H18O4
Exact Mass 214.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7m2eSpVKcOF
Name (+-)-(1S*,3R*)-ethyl 3-(2'-hydroxyethyl)-5-oxocyclohexylcarboxylate
CAS Registry Number 123559-53-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O4
InChI InChI=1S/C11H18O4/c1-2-15-11(14)9-5-8(3-4-12)6-10(13)7-9/h8-9,12H,2-7H2,1H3/t8-,9-/m0/s1
InChIKey QILKHSWKTPOJBM-IUCAKERBSA-N
Molecular Weight 214.261 g/mol
SMILES OCC[C@]1(C[C@](C(=O)OCC)(CC(=O)C1)[H])[H]
SPLASH splash10-0006-9810000000-9345edb31c150ac4fd6f
Source of Spectrum F-45-1407-27
Synonyms (1S,3R)-3-(2-hydroxyethyl)-5-keto-cyclohexanecarboxylic acid ethyl ester (1S,3R)-3-(2-hydroxyethyl)-5-oxo-1-cyclohexanecarboxylic acid ethyl ester Ethyl (1S,3R)-3-(2-hydroxyethyl)-5-oxo-cyclohexanecarboxylate Ethyl (1S,3R)-3-(2-hydroxyethyl)-5-oxidanylidene-cyclohexane-1-carboxylate Ethyl (1S,3R)-3-(2-hydroxyethyl)-5-oxocyclohexane-1-carboxylate
Wiley ID 1213369