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4-Hydroxyphenylacetic acid mehfb @P1272

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

4-Hydroxyphenylacetic acid mehfb @P1272
SpectraBase Compound ID 4YPaLq58po0
InChI InChI=1S/C13H9F7O4/c1-23-9(21)6-7-2-4-8(5-3-7)24-10(22)11(14,15)12(16,17)13(18,19)20/h2-5H,6H2,1H3
InChIKey NZZPECSFHOMKBN-UHFFFAOYSA-N
Mol Weight 362.2 g/mol
Molecular Formula C13H9F7O4
Exact Mass 362.038906 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AbGTgsRiaxX
Name 4-Hydroxyphenylacetic acid mehfb @P1272
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 362.038905907 u
Formula C13H9F7O4
InChI InChI=1S/C13H9F7O4/c1-23-9(21)6-7-2-4-8(5-3-7)24-10(22)11(14,15)12(16,17)13(18,19)20/h2-5H,6H2,1H3
InChIKey NZZPECSFHOMKBN-UHFFFAOYSA-N
Molecular Weight 362.200 g/mol
SMILES C1(=CC=C(C=C1)OC(C(C(C(F)(F)F)(F)F)(F)F)=O)CC(OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.970431