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4-Bromobenzoic acid, 2-phenylethyl ester

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4-Bromobenzoic acid, 2-phenylethyl ester
SpectraBase Compound ID 207tUyM0Qd4
InChI InChI=1S/C15H13BrO2/c16-14-8-6-13(7-9-14)15(17)18-11-10-12-4-2-1-3-5-12/h1-9H,10-11H2
InChIKey YFMWWCJIGYOSBM-UHFFFAOYSA-N
Mol Weight 305.17 g/mol
Molecular Formula C15H13BrO2
Exact Mass 304.009893 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID J6AE5vgPflt
Name 4-Bromobenzoic acid, 2-phenylethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 304.009892657 u
Formula C15H13BrO2
InChI InChI=1S/C15H13BrO2/c16-14-8-6-13(7-9-14)15(17)18-11-10-12-4-2-1-3-5-12/h1-9H,10-11H2
InChIKey YFMWWCJIGYOSBM-UHFFFAOYSA-N
Molecular Weight 305.171 g/mol
SMILES C1(=CC=CC=C1)CCOC(C1=CC=C(C=C1)Br)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.881634