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Butyric acid, 4-phenyl-, undecyl ester

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

Butyric acid, 4-phenyl-, undecyl ester
SpectraBase Compound ID 35AAqCxLDpc
InChI InChI=1S/C21H34O2/c1-2-3-4-5-6-7-8-9-13-19-23-21(22)18-14-17-20-15-11-10-12-16-20/h10-12,15-16H,2-9,13-14,17-19H2,1H3
InChIKey KPFWOXDSMWLIMK-UHFFFAOYSA-N
Mol Weight 318.5 g/mol
Molecular Formula C21H34O2
Exact Mass 318.25588 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IuDDJiLoE1w
Name Butyric acid, 4-phenyl-, undecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 318.255880333 u
Formula C21H34O2
InChI InChI=1S/C21H34O2/c1-2-3-4-5-6-7-8-9-13-19-23-21(22)18-14-17-20-15-11-10-12-16-20/h10-12,15-16H,2-9,13-14,17-19H2,1H3
InChIKey KPFWOXDSMWLIMK-UHFFFAOYSA-N
Molecular Weight 318.501 g/mol
SMILES C(CCCC=1C=CC=CC1)(OCCCCCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.950025