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(1E)-1-cycloundecenecarboxylic acid methyl ester

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

(1E)-1-cycloundecenecarboxylic acid methyl ester
SpectraBase Compound ID 7Rr1Ch1Go19
InChI InChI=1S/C13H22O2/c1-15-13(14)12-10-8-6-4-2-3-5-7-9-11-12/h10H,2-9,11H2,1H3/b12-10+
InChIKey IXJSBKWOAZUFMR-ZRDIBKRKSA-N
Mol Weight 210.32 g/mol
Molecular Formula C13H22O2
Exact Mass 210.16198 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IbH9XaU9zw2
Name (1E)-1-Cycloundecenecarboxylic acid methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 210.161979946 u
Formula C13H22O2
InChI InChI=1S/C13H22O2/c1-15-13(14)12-10-8-6-4-2-3-5-7-9-11-12/h10H,2-9,11H2,1H3/b12-10+
InChIKey IXJSBKWOAZUFMR-ZRDIBKRKSA-N
Molecular Weight 210.317 g/mol
SMILES C(\C1=C\CCCCCCCCC1)(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.917543