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2-(2-oxocyclododecyl)propyl acetate
SpectraBase Compound ID DXyYkhWPqQt
InChI InChI=1S/C17H30O3/c1-14(13-20-15(2)18)16-11-9-7-5-3-4-6-8-10-12-17(16)19/h14,16H,3-13H2,1-2H3
InChIKey QJZOTUYFCGKZMW-UHFFFAOYSA-N
Mol Weight 282.42 g/mol
Molecular Formula C17H30O3
Exact Mass 282.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IlZLT2dBWxW
Name 2-(2-oxocyclododecyl)propyl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H30O3
InChI InChI=1S/C17H30O3/c1-14(13-20-15(2)18)16-11-9-7-5-3-4-6-8-10-12-17(16)19/h14,16H,3-13H2,1-2H3
InChIKey QJZOTUYFCGKZMW-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 282.424 g/mol
SMILES C1(=O)C(CCCCCCCCCC1)C(COC(C)=O)C
SPLASH splash10-05mp-9210000000-1b6555ebba430eb41c3d
Sample Comments Mixture of diastereomers
Source of Spectrum WO2014040636A1
Wiley ID 1850001