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Methyl 1-(2'-methylpropyl)-2-oxocyclododecanoate

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Methyl 1-(2'-methylpropyl)-2-oxocyclododecanoate
SpectraBase Compound ID FQsUjJmws7v
InChI InChI=1S/C18H32O3/c1-15(2)14-18(17(20)21-3)13-11-9-7-5-4-6-8-10-12-16(18)19/h15H,4-14H2,1-3H3
InChIKey WMUYRJLAXFCWLL-UHFFFAOYSA-N
Mol Weight 296.5 g/mol
Molecular Formula C18H32O3
Exact Mass 296.235145 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LMjA5I0bhVw
Name Methyl 1-(2'-methylpropyl)-2-oxocyclododecanoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 296.235144887 u
Formula C18H32O3
InChI InChI=1S/C18H32O3/c1-15(2)14-18(17(20)21-3)13-11-9-7-5-4-6-8-10-12-16(18)19/h15H,4-14H2,1-3H3
InChIKey WMUYRJLAXFCWLL-UHFFFAOYSA-N
SMILES C1(C(=O)OC)(C(=O)CCCCCCCCCC1)CC(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.892272