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syn-2-Bromo-1-(2-methoxyphenyl)-2-phenylethanol acetate

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

syn-2-Bromo-1-(2-methoxyphenyl)-2-phenylethanol acetate
SpectraBase Compound ID B28Y08O1hsz
InChI InChI=1S/C17H17BrO3/c1-12(19)21-17(14-10-6-7-11-15(14)20-2)16(18)13-8-4-3-5-9-13/h3-11,16-17H,1-2H3
InChIKey GUERTJCQOFYEKD-UHFFFAOYSA-N
Mol Weight 349.22 g/mol
Molecular Formula C17H17BrO3
Exact Mass 348.036107 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AgQRQLRmMum
Name syn-2-Bromo-1-(2-methoxyphenyl)-2-phenylethanol acetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 348.036107404 u
Formula C17H17BrO3
InChI InChI=1S/C17H17BrO3/c1-12(19)21-17(14-10-6-7-11-15(14)20-2)16(18)13-8-4-3-5-9-13/h3-11,16-17H,1-2H3
InChIKey GUERTJCQOFYEKD-UHFFFAOYSA-N
Molecular Weight 349.224 g/mol
SMILES C(C(C=1C=CC=CC1)Br)(C=1C(=CC=CC1)OC)OC(C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.934122