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Butyric acid, 4-phenyl-, heptyl ester

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

Butyric acid, 4-phenyl-, heptyl ester
SpectraBase Compound ID EruE9UemYxd
InChI InChI=1S/C17H26O2/c1-2-3-4-5-9-15-19-17(18)14-10-13-16-11-7-6-8-12-16/h6-8,11-12H,2-5,9-10,13-15H2,1H3
InChIKey GZGITFJBUSHFNQ-UHFFFAOYSA-N
Mol Weight 262.39 g/mol
Molecular Formula C17H26O2
Exact Mass 262.19328 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 41ZPlaugbM9
Name Butyric acid, 4-phenyl-, heptyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 262.193280075 u
Formula C17H26O2
InChI InChI=1S/C17H26O2/c1-2-3-4-5-9-15-19-17(18)14-10-13-16-11-7-6-8-12-16/h6-8,11-12H,2-5,9-10,13-15H2,1H3
InChIKey GZGITFJBUSHFNQ-UHFFFAOYSA-N
Molecular Weight 262.393 g/mol
SMILES C(CCCC=1C=CC=CC1)(OCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.923985