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Ethyl 3-[(3-oxocyclohexyl)methyl]benzoate

View entire compound with spectra: 1 MS (GC)

Ethyl 3-[(3-oxocyclohexyl)methyl]benzoate
SpectraBase Compound ID 1rHgvdoJkKa
InChI InChI=1S/C16H20O3/c1-2-19-16(18)14-7-3-5-12(10-14)9-13-6-4-8-15(17)11-13/h3,5,7,10,13H,2,4,6,8-9,11H2,1H3
InChIKey GXIALSFWNOIITK-UHFFFAOYSA-N
Mol Weight 260.33 g/mol
Molecular Formula C16H20O3
Exact Mass 260.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8YUMGRvEIsY
Name Ethyl 3-[(3-oxocyclohexyl)methyl]benzoate
Alternate Name(s) Ethyl 3-((3-oxocyclohexyl)methyl)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O3
InChI InChI=1S/C16H20O3/c1-2-19-16(18)14-7-3-5-12(10-14)9-13-6-4-8-15(17)11-13/h3,5,7,10,13H,2,4,6,8-9,11H2,1H3
InChIKey GXIALSFWNOIITK-UHFFFAOYSA-N
Literature Reference DOI 10.1002/asia.200800161
Molecular Weight 260.333 g/mol
SMILES C1C(Cc2cc(ccc2)C(OCC)=O)CC(CC1)=O
SPLASH splash10-0304-9440000000-92a7af707d564f27be2a
Source of Spectrum CAJ-3-1687-4v
Wiley ID 1775088