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Ethyl 4-((4-bromophenyl)ethynyl)benzoate
SpectraBase Compound ID 1rQwybH9l0i
InChI InChI=1S/C17H13BrO2/c1-2-20-17(19)15-9-5-13(6-10-15)3-4-14-7-11-16(18)12-8-14/h5-12H,2H2,1H3
InChIKey CKEMXFGLHYZEIC-UHFFFAOYSA-N
Mol Weight 329.19 g/mol
Molecular Formula C17H13BrO2
Exact Mass 328.009893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9ttwPBQb35q
Name Ethyl 4-((4-bromophenyl)ethynyl)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13BrO2
InChI InChI=1S/C17H13BrO2/c1-2-20-17(19)15-9-5-13(6-10-15)3-4-14-7-11-16(18)12-8-14/h5-12H,2H2,1H3
InChIKey CKEMXFGLHYZEIC-UHFFFAOYSA-N
Literature Reference DOI 10.1039/C5SC02583D
Molecular Weight 329.193 g/mol
SMILES C(c1ccc(cc1)C#Cc1ccc(cc1)Br)(=O)OCC
SPLASH splash10-0059-1679000000-1a5b52218d6bc9c251a5
Source of Spectrum CSS-7-89/SM9-3eb
Wiley ID 1801097