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Benzeneacetic acid, 4-benzyloxy-3-ethoxy-.alpha.-hydroxy-

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

Benzeneacetic acid, 4-benzyloxy-3-ethoxy-.alpha.-hydroxy-
SpectraBase Compound ID BcF6tqwRitg
InChI InChI=1S/C17H18O5/c1-2-21-15-10-13(16(18)17(19)20)8-9-14(15)22-11-12-6-4-3-5-7-12/h3-10,16,18H,2,11H2,1H3,(H,19,20)
InChIKey XNYGPUIXDMHNAP-UHFFFAOYSA-N
Mol Weight 302.33 g/mol
Molecular Formula C17H18O5
Exact Mass 302.115424 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1XiHNxIXLtn
Name Benzeneacetic acid, 4-benzyloxy-3-ethoxy-.alpha.-hydroxy-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 302.115423675 u
Formula C17H18O5
InChI InChI=1S/C17H18O5/c1-2-21-15-10-13(16(18)17(19)20)8-9-14(15)22-11-12-6-4-3-5-7-12/h3-10,16,18H,2,11H2,1H3,(H,19,20)
InChIKey XNYGPUIXDMHNAP-UHFFFAOYSA-N
SMILES C1(=CC=C(C=C1OCC)C(O)C(O)=O)OCC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.804158