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Butyric acid, 4-phenyl-, octyl ester

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

Butyric acid, 4-phenyl-, octyl ester
SpectraBase Compound ID KZrdih8bHFp
InChI InChI=1S/C18H28O2/c1-2-3-4-5-6-10-16-20-18(19)15-11-14-17-12-8-7-9-13-17/h7-9,12-13H,2-6,10-11,14-16H2,1H3
InChIKey IHOSELVFKBBYTI-UHFFFAOYSA-N
Mol Weight 276.42 g/mol
Molecular Formula C18H28O2
Exact Mass 276.20893 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Ia20d33Tjpu
Name Butyric acid, 4-phenyl-, octyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 276.208930140 u
Formula C18H28O2
InChI InChI=1S/C18H28O2/c1-2-3-4-5-6-10-16-20-18(19)15-11-14-17-12-8-7-9-13-17/h7-9,12-13H,2-6,10-11,14-16H2,1H3
InChIKey IHOSELVFKBBYTI-UHFFFAOYSA-N
Molecular Weight 276.420 g/mol
SMILES C(CCCC=1C=CC=CC1)(OCCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.933829