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Cycloundecanecarboxylic acid, 1-methyl-, methyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

Cycloundecanecarboxylic acid, 1-methyl-, methyl ester
SpectraBase Compound ID FbXhc3jXDb5
InChI InChI=1S/C14H26O2/c1-14(13(15)16-2)11-9-7-5-3-4-6-8-10-12-14/h3-12H2,1-2H3
InChIKey DELNPIAJTUNHSR-UHFFFAOYSA-N
Mol Weight 226.36 g/mol
Molecular Formula C14H26O2
Exact Mass 226.19328 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HmYFIFjgBTh
Name Cycloundecanecarboxylic acid, 1-methyl-, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 226.193280075 u
Formula C14H26O2
InChI InChI=1S/C14H26O2/c1-14(13(15)16-2)11-9-7-5-3-4-6-8-10-12-14/h3-12H2,1-2H3
InChIKey DELNPIAJTUNHSR-UHFFFAOYSA-N
Molecular Weight 226.360 g/mol
SMILES C1CCCC(CCCCCC1)(C)C(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.905542