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Phenethyl tetradecanoate

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

Phenethyl tetradecanoate
SpectraBase Compound ID JH7tOaYN3vT
InChI InChI=1S/C22H36O2/c1-2-3-4-5-6-7-8-9-10-11-15-18-22(23)24-20-19-21-16-13-12-14-17-21/h12-14,16-17H,2-11,15,18-20H2,1H3
InChIKey BZEXDSGQQMPNNS-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 63BJzJOdHFP
Name Phenethyl tetradecanoate
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/c1-2-3-4-5-6-7-8-9-10-11-15-18-22(23)24-20-19-21-16-13-12-14-17-21/h12-14,16-17H,2-11,15,18-20H2,1H3
InChIKey BZEXDSGQQMPNNS-UHFFFAOYSA-N
Molecular Weight 332.528 g/mol
SMILES C(CCCCCCCCCCCCC)(=O)OCCC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.835446