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Benzeneacetic acid, decyl ester

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

Benzeneacetic acid, decyl ester
SpectraBase Compound ID K6B7WJ5gbZc
InChI InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-12-15-20-18(19)16-17-13-10-9-11-14-17/h9-11,13-14H,2-8,12,15-16H2,1H3
InChIKey AKKHCVAUQXJEOR-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 9aqX0IKjigV
Name Benzeneacetic acid, decyl 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/c1-2-3-4-5-6-7-8-12-15-20-18(19)16-17-13-10-9-11-14-17/h9-11,13-14H,2-8,12,15-16H2,1H3
InChIKey AKKHCVAUQXJEOR-UHFFFAOYSA-N
Molecular Weight 276.420 g/mol
SMILES C1=CC(CC(=O)OCCCCCCCCCC)=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.965137