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Cinnamyl 2-bromo-2-phenylpropanoate

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

Cinnamyl 2-bromo-2-phenylpropanoate
SpectraBase Compound ID I1v76fHYRfh
InChI InChI=1S/C18H17BrO2/c1-18(19,16-12-6-3-7-13-16)17(20)21-14-8-11-15-9-4-2-5-10-15/h2-13H,14H2,1H3/b11-8+
InChIKey CGFYRORHFFKLPR-DHZHZOJOSA-N
Mol Weight 345.24 g/mol
Molecular Formula C18H17BrO2
Exact Mass 344.041193 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EgA683XeYbv
Name Cinnamyl 2-bromo-2-phenylpropanoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 344.041192785 u
Formula C18H17BrO2
InChI InChI=1S/C18H17BrO2/c1-18(19,16-12-6-3-7-13-16)17(20)21-14-8-11-15-9-4-2-5-10-15/h2-13H,14H2,1H3/b11-8+
InChIKey CGFYRORHFFKLPR-DHZHZOJOSA-N
Molecular Weight 345.236 g/mol
SMILES C(C(=O)OC\C=C\C=1C=CC=CC1)(C1=CC=CC=C1)(Br)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.848074