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Benzyl nonanoate

View entire compound with spectra: 1 NMR, 1 FTIR, and 4 MS (GC)

Benzyl nonanoate
SpectraBase Compound ID 2uIJMUQLV4N
InChI InChI=1S/C16H24O2/c1-2-3-4-5-6-10-13-16(17)18-14-15-11-8-7-9-12-15/h7-9,11-12H,2-6,10,13-14H2,1H3
InChIKey KVIQEJMWUXBBQJ-UHFFFAOYSA-N
Mol Weight 248.37 g/mol
Molecular Formula C16H24O2
Exact Mass 248.17763 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AYHYF1bdybV
Name Nonanoic acid, phenylmethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 248.177630011 u
Formula C16H24O2
InChI InChI=1S/C16H24O2/c1-2-3-4-5-6-10-13-16(17)18-14-15-11-8-7-9-12-15/h7-9,11-12H,2-6,10,13-14H2,1H3
InChIKey KVIQEJMWUXBBQJ-UHFFFAOYSA-N
Molecular Weight 248.366 g/mol
SMILES C1(=CC=CC=C1)COC(CCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.86857