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3-Cyclopentylpropionic acid, 2-octyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

3-Cyclopentylpropionic acid, 2-octyl ester
SpectraBase Compound ID EMIqeVJXSdQ
InChI InChI=1S/C16H30O2/c1-3-4-5-6-9-14(2)18-16(17)13-12-15-10-7-8-11-15/h14-15H,3-13H2,1-2H3
InChIKey AEMFZMBOZXJUPC-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 4hADE58hoVn
Name 3-Cyclopentylpropionic acid, 2-octyl ester
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/c1-3-4-5-6-9-14(2)18-16(17)13-12-15-10-7-8-11-15/h14-15H,3-13H2,1-2H3
InChIKey AEMFZMBOZXJUPC-UHFFFAOYSA-N
Molecular Weight 254.414 g/mol
SMILES CC(OC(CCC1CCCC1)=O)CCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.985641