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Nonanoic acid, 5-phenyl-, methyl ester

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

Nonanoic acid, 5-phenyl-, methyl ester
SpectraBase Compound ID spb03jQEkO
InChI InChI=1S/C16H24O2/c1-3-4-9-14(12-8-13-16(17)18-2)15-10-6-5-7-11-15/h5-7,10-11,14H,3-4,8-9,12-13H2,1-2H3
InChIKey WAFCYXGFFOIKKH-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 4lVapPbeS7Q
Name Nonanoic acid, 5-phenyl-, methyl 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/c1-3-4-9-14(12-8-13-16(17)18-2)15-10-6-5-7-11-15/h5-7,10-11,14H,3-4,8-9,12-13H2,1-2H3
InChIKey WAFCYXGFFOIKKH-UHFFFAOYSA-N
Molecular Weight 248.366 g/mol
SMILES C(C(CCCC)C1=CC=CC=C1)CCC(OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.969015