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Methyl 1-cyclododecene-1-carboxylate

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

Methyl 1-cyclododecene-1-carboxylate
SpectraBase Compound ID HgeL9Btyvxv
InChI InChI=1S/C14H24O2/c1-16-14(15)13-11-9-7-5-3-2-4-6-8-10-12-13/h11H,2-10,12H2,1H3/b13-11+
InChIKey ZSYLKSNNCISMDE-ACCUITESSA-N
Mol Weight 224.34 g/mol
Molecular Formula C14H24O2
Exact Mass 224.17763 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 27yxQ7CHGxr
Name Methyl 1-cyclododecene-1-carboxylate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 224.177630011 u
Formula C14H24O2
InChI InChI=1S/C14H24O2/c1-16-14(15)13-11-9-7-5-3-2-4-6-8-10-12-13/h11H,2-10,12H2,1H3/b13-11+
InChIKey ZSYLKSNNCISMDE-ACCUITESSA-N
Molecular Weight 224.344 g/mol
SMILES C(\C1=C\CCCCCCCCCC1)(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.901816