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trans-Ethyl 4-(2-butyl-6-oxocyclohexyl)benzoate
SpectraBase Compound ID CPdEsSsOGkm
InChI InChI=1S/C19H26O3/c1-3-5-7-14-8-6-9-17(20)18(14)15-10-12-16(13-11-15)19(21)22-4-2/h10-14,18H,3-9H2,1-2H3/t14-,18-/m1/s1
InChIKey ZDAAJPJGXFTNCT-RDTXWAMCSA-N
Mol Weight 302.41 g/mol
Molecular Formula C19H26O3
Exact Mass 302.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L0uL9gIq5tN
Name trans-Ethyl 4-(2-butyl-6-oxocyclohexyl)benzoate
Alternate Name(s) Ethyl 4-((1R,2R)-2-butyl-6-oxocyclohexyl)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H26O3
InChI InChI=1S/C19H26O3/c1-3-5-7-14-8-6-9-17(20)18(14)15-10-12-16(13-11-15)19(21)22-4-2/h10-14,18H,3-9H2,1-2H3/t14-,18-/m1/s1
InChIKey ZDAAJPJGXFTNCT-RDTXWAMCSA-N
Literature Reference DOI 10.1039/C5CC09837H
Molecular Weight 302.414 g/mol
SMILES C(c1ccc(cc1)[C@]1([C@@](CCCC1=O)(CCCC)[H])[H])(=O)OCC
SPLASH splash10-0lec-3952000000-72a07c9d3a923f21293f
Source of Spectrum KD-52-2382/SM15-3o
Wiley ID 1803727