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Benzeneacetic acid, 3-tetradecyl ester

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

Benzeneacetic acid, 3-tetradecyl ester
SpectraBase Compound ID RoToF3G5sU
InChI InChI=1S/C22H36O2/c1-3-5-6-7-8-9-10-11-15-18-21(4-2)24-22(23)19-20-16-13-12-14-17-20/h12-14,16-17,21H,3-11,15,18-19H2,1-2H3
InChIKey ZYJFFSXQYONHJP-UHFFFAOYSA-N
Mol Weight 332.5 g/mol
Molecular Formula C22H36O2
Exact Mass 332.27153 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GleUOKpsdDA
Name Benzeneacetic acid, 3-tetradecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 332.271530397 u
Formula C22H36O2
InChI InChI=1S/C22H36O2/c1-3-5-6-7-8-9-10-11-15-18-21(4-2)24-22(23)19-20-16-13-12-14-17-20/h12-14,16-17,21H,3-11,15,18-19H2,1-2H3
InChIKey ZYJFFSXQYONHJP-UHFFFAOYSA-N
Molecular Weight 332.528 g/mol
SMILES C1=CC(CC(OC(CC)CCCCCCCCCCC)=O)=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.826673