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Butyric acid, 4-phenyl-, decyl ester

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

Butyric acid, 4-phenyl-, decyl ester
SpectraBase Compound ID 4rKTVg3M2fN
InChI InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-12-18-22-20(21)17-13-16-19-14-10-9-11-15-19/h9-11,14-15H,2-8,12-13,16-18H2,1H3
InChIKey MHAGXQZGTXYSMN-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 6KE180BqSzJ
Name Butyric acid, 4-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/c1-2-3-4-5-6-7-8-12-18-22-20(21)17-13-16-19-14-10-9-11-15-19/h9-11,14-15H,2-8,12-13,16-18H2,1H3
InChIKey MHAGXQZGTXYSMN-UHFFFAOYSA-N
Molecular Weight 304.474 g/mol
SMILES C(CCCC=1C=CC=CC1)(OCCCCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.961738