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(+-)-trans-2-(2-Oxohexyl)cycloheptyl propionate
SpectraBase Compound ID DWEGuoVNOh2
InChI InChI=1S/C16H28O3/c1-3-5-10-14(17)12-13-9-7-6-8-11-15(13)19-16(18)4-2/h13,15H,3-12H2,1-2H3/t13-,15+/m1/s1
InChIKey JPSWJACHVSJAIG-HIFRSBDPSA-N
Mol Weight 268.4 g/mol
Molecular Formula C16H28O3
Exact Mass 268.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ITmRgXdVeUa
Name (+-)-trans-2-(2-Oxohexyl)cycloheptyl propionate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H28O3
InChI InChI=1S/C16H28O3/c1-3-5-10-14(17)12-13-9-7-6-8-11-15(13)19-16(18)4-2/h13,15H,3-12H2,1-2H3/t13-,15+/m1/s1
InChIKey JPSWJACHVSJAIG-HIFRSBDPSA-N
Molecular Weight 268.397 g/mol
SMILES C(O[C@@]1([C@@](CC(=O)CCCC)(CCCCC1)[H])[H])(=O)CC
SPLASH splash10-000i-9010000000-1b2a4090d22ae394f812
Source of Spectrum F-55-10133-22
Synonyms (1S,2R)-2-(2-oxohexyl)cycloheptyl propionate Propanoic acid[(1S,2R)-2-(2-oxohexyl)cycloheptyl]ester Propionic acid (1S,2R)-2-(2-oxo-hexyl)-cycloheptyl ester Propionic acid[(1S,2R)-2-(2-ketohexyl)cycloheptyl]ester [(1S,2R)-2-(2-oxidanylidenehexyl)cycloheptyl]propanoate [(1S,2R)-2-(2-oxohexyl)cycloheptyl]propanoate Propanoic acid [(1S,2R)-2-(2-oxohexyl)cycloheptyl] ester [(1S,2R)-2-(2-oxohexyl)cycloheptyl] propanoate [(1S,2R)-2-(2-oxidanylidenehexyl)cycloheptyl] propanoate
Wiley ID 838875