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Butyric acid, 2-phenyl-, decyl ester

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

Butyric acid, 2-phenyl-, decyl ester
SpectraBase Compound ID KOAiBElTeDq
InChI InChI=1S/C20H32O2/c1-3-5-6-7-8-9-10-14-17-22-20(21)19(4-2)18-15-12-11-13-16-18/h11-13,15-16,19H,3-10,14,17H2,1-2H3
InChIKey FYQGGOKIPQBGOC-UHFFFAOYSA-N
Mol Weight 304.5 g/mol
Molecular Formula C20H32O2
Exact Mass 304.24023 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9UHpf1qA3Nd
Name Butyric acid, 2-phenyl-, decyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 304.240230268 u
Formula C20H32O2
InChI InChI=1S/C20H32O2/c1-3-5-6-7-8-9-10-14-17-22-20(21)19(4-2)18-15-12-11-13-16-18/h11-13,15-16,19H,3-10,14,17H2,1-2H3
InChIKey FYQGGOKIPQBGOC-UHFFFAOYSA-N
Molecular Weight 304.474 g/mol
SMILES C(C(C(OCCCCCCCCCC)=O)C1=CC=CC=C1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.953255