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(1R,2S,3S)-2-(2-ketopentyl)-3-propyl-cyclopropanecarboxylic acid tert-butyl ester
SpectraBase Compound ID C8KY3wJUtEf
InChI InChI=1S/C16H28O3/c1-6-8-11(17)10-13-12(9-7-2)14(13)15(18)19-16(3,4)5/h12-14H,6-10H2,1-5H3/t12-,13-,14+/m0/s1
InChIKey ADLUCQBUTSJYAO-MELADBBJSA-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 4G8AdLffnoC
Name (1R,2S,3S)-2-(2-ketopentyl)-3-propyl-cyclopropanecarboxylic acid tert-butyl ester
Alternate Name(s) (1R,2S,3S)-2-(2-oxopentyl)-3-propyl-1-cyclopropanecarboxylic acid tert-butyl ester tert-Butyl (1R,2S,3S)-2-(2-oxidanylidenepentyl)-3-propyl-cyclopropane-1-carboxylate tert-Butyl (1R,2S,3S)-2-(2-oxopentyl)-3-propyl-cyclopropanecarboxylate tert-Butyl (1R,2S,3S)-2-(2-oxopentyl)-3-propylcyclopropane-1-carboxylate
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Formula C16H28O3
InChI InChI=1S/C16H28O3/c1-6-8-11(17)10-13-12(9-7-2)14(13)15(18)19-16(3,4)5/h12-14H,6-10H2,1-5H3/t12-,13-,14+/m0/s1
InChIKey ADLUCQBUTSJYAO-MELADBBJSA-N
Molecular Weight 268.397 g/mol
SMILES [C@]1([C@](CC(=O)CCC)([H])[C@@]1(CCC)[H])(C(OC(C)(C)C)=O)[H]
SPLASH splash10-01ot-0970000000-ab51ca3d6efe95124bad
Source of Spectrum J-66-7965-8
Wiley ID 1568557