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Methyl 2-cyclohexyl-2-methylpentanoate

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

Methyl 2-cyclohexyl-2-methylpentanoate
SpectraBase Compound ID FQ2Fxf3Qtd2
InChI InChI=1S/C13H24O2/c1-4-10-13(2,12(14)15-3)11-8-6-5-7-9-11/h11H,4-10H2,1-3H3
InChIKey VCCZXUFUICXVRJ-UHFFFAOYSA-N
Mol Weight 212.33 g/mol
Molecular Formula C13H24O2
Exact Mass 212.17763 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9VOd4qM334B
Name Cyclohexaneacetic acid, .alpha.-methyl-.alpha.-propyl-, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 212.177630011 u
Formula C13H24O2
InChI InChI=1S/C13H24O2/c1-4-10-13(2,12(14)15-3)11-8-6-5-7-9-11/h11H,4-10H2,1-3H3
InChIKey VCCZXUFUICXVRJ-UHFFFAOYSA-N
Molecular Weight 212.333 g/mol
SMILES C(C(CCC)(C)C1CCCCC1)(OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.957167