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(R)-.alpha.-Hydroxy-.alpha.-(4-iodophenyl) benzeneacetic acid

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

(R)-.alpha.-Hydroxy-.alpha.-(4-iodophenyl) benzeneacetic acid
SpectraBase Compound ID 6RPFYo9sOYs
InChI InChI=1S/C14H11IO3/c15-12-8-6-11(7-9-12)14(18,13(16)17)10-4-2-1-3-5-10/h1-9,18H,(H,16,17)/t14-/m1/s1
InChIKey SKCUPWGUSRLOIX-CQSZACIVSA-N
Mol Weight 354.14 g/mol
Molecular Formula C14H11IO3
Exact Mass 353.975289 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5TPv7tF0Goq
Name (R)-.alpha.-Hydroxy-.alpha.-(4-iodophenyl) benzeneacetic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 353.975289211 u
Formula C14H11IO3
InChI InChI=1S/C14H11IO3/c15-12-8-6-11(7-9-12)14(18,13(16)17)10-4-2-1-3-5-10/h1-9,18H,(H,16,17)/t14-/m1/s1
InChIKey SKCUPWGUSRLOIX-CQSZACIVSA-N
Molecular Weight 354.143 g/mol
SMILES [C@](C(=O)O)(C1=CC=C(C=C1)I)(C=1C=CC=CC1)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.829473