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3-Methoxybenzoic acid, 2-phenylethyl ester

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

3-Methoxybenzoic acid, 2-phenylethyl ester
SpectraBase Compound ID 3qlZXZI5Dqu
InChI InChI=1S/C16H16O3/c1-18-15-9-5-8-14(12-15)16(17)19-11-10-13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3
InChIKey BGOXSPQGPITZLB-UHFFFAOYSA-N
Mol Weight 256.3 g/mol
Molecular Formula C16H16O3
Exact Mass 256.109944 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID D752qYQZNde
Name 3-Methoxybenzoic acid, 2-phenylethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 256.109944372 u
Formula C16H16O3
InChI InChI=1S/C16H16O3/c1-18-15-9-5-8-14(12-15)16(17)19-11-10-13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3
InChIKey BGOXSPQGPITZLB-UHFFFAOYSA-N
Molecular Weight 256.301 g/mol
SMILES C1=CC=CC=C1CCOC(C1=CC=CC(=C1)OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.907207