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Methyl 4-octylcyclohexanecarboxylate

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

Methyl 4-octylcyclohexanecarboxylate
SpectraBase Compound ID 4YTRuH28lV4
InChI InChI=1S/C16H30O2/c1-3-4-5-6-7-8-9-14-10-12-15(13-11-14)16(17)18-2/h14-15H,3-13H2,1-2H3
InChIKey VZBQPSRUXWJLRQ-UHFFFAOYSA-N
Mol Weight 254.41 g/mol
Molecular Formula C16H30O2
Exact Mass 254.22458 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FlXDnArwJ70
Name Methyl 4-octylcyclohexanecarboxylate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 254.224580204 u
Formula C16H30O2
InChI InChI=1S/C16H30O2/c1-3-4-5-6-7-8-9-14-10-12-15(13-11-14)16(17)18-2/h14-15H,3-13H2,1-2H3
InChIKey VZBQPSRUXWJLRQ-UHFFFAOYSA-N
Molecular Weight 254.414 g/mol
SMILES C(C1CCC(CC1)C(=O)OC)CCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.916813