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3-((1R,5R)-5-tert-Butyl-2-oxo-cyclohexyl)-propionic acid ethyl ester
SpectraBase Compound ID KuQLReR8AZS
InChI InChI=1S/C15H26O3/c1-5-18-14(17)9-6-11-10-12(15(2,3)4)7-8-13(11)16/h11-12H,5-10H2,1-4H3/t11-,12-/m1/s1
InChIKey DGFMWHFQQQQHBK-VXGBXAGGSA-N
Mol Weight 254.37 g/mol
Molecular Formula C15H26O3
Exact Mass 254.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KxGEsZGPlV6
Name 3-((1R,5R)-5-tert-Butyl-2-oxo-cyclohexyl)-propionic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H26O3
InChI InChI=1S/C15H26O3/c1-5-18-14(17)9-6-11-10-12(15(2,3)4)7-8-13(11)16/h11-12H,5-10H2,1-4H3/t11-,12-/m1/s1
InChIKey DGFMWHFQQQQHBK-VXGBXAGGSA-N
Molecular Weight 254.370 g/mol
SMILES C1([C@@](C[C@@](CC1)(C(C)(C)C)[H])(CCC(=O)OCC)[H])=O
SPLASH splash10-0a4i-9440000000-57723cef358ede16e9b0
Source of Spectrum QC-10-1250-4
Synonyms (-)-cis/trans-Ethyl 3-(5-(1,1-dimethylethyl)-2-oxocyclohexyl)propionoate Ethyl 3-[(1R,5R)-5-tert-butyl-2-oxocyclohexyl]propanoate
Wiley ID 871311