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3-Phenylpropanoic acid, nonyl ester

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

3-Phenylpropanoic acid, nonyl ester
SpectraBase Compound ID 4g5VWgBlynn
InChI InChI=1S/C18H28O2/c1-2-3-4-5-6-7-11-16-20-18(19)15-14-17-12-9-8-10-13-17/h8-10,12-13H,2-7,11,14-16H2,1H3
InChIKey DXMZVCRGYUBQST-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 4Wea3z1BhOr
Name 3-Phenylpropanoic acid, nonyl 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/c1-2-3-4-5-6-7-11-16-20-18(19)15-14-17-12-9-8-10-13-17/h8-10,12-13H,2-7,11,14-16H2,1H3
InChIKey DXMZVCRGYUBQST-UHFFFAOYSA-N
Molecular Weight 276.420 g/mol
SMILES C(COC(=O)CCC1=CC=CC=C1)CCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.968252