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methyl 6-oxooxacyclopentadecane-5-carboxylate
SpectraBase Compound ID ENsj8wVMr3y
InChI InChI=1S/C16H28O4/c1-19-16(18)14-10-9-13-20-12-8-6-4-2-3-5-7-11-15(14)17/h14H,2-13H2,1H3
InChIKey HEGKZWNJPGQTGG-UHFFFAOYSA-N
Mol Weight 284.4 g/mol
Molecular Formula C16H28O4
Exact Mass 284.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dc62zbAHYjL
Name methyl 6-oxooxacyclopentadecane-5-carboxylate
Appearance Light yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 284.198759378 u
Formula C16H28O4
InChI InChI=1S/C16H28O4/c1-19-16(18)14-10-9-13-20-12-8-6-4-2-3-5-7-11-15(14)17/h14H,2-13H2,1H3
InChIKey HEGKZWNJPGQTGG-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Quality 197
SMILES COC(=O)C1CCCOCCCCCCCCCC1=O
SPLASH splash10-0zfr-8900000000-475d5a035172de456a1c
Sample Comments Minor isomer, dr = 1.3:1
Source of Spectrum WO2023089158A1
Wiley ID 1897251