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Benzoic acid, 4-bromo-, 2-propynyl ester

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

Benzoic acid, 4-bromo-, 2-propynyl ester
SpectraBase Compound ID 6mP0g7iOop3
InChI InChI=1S/C10H7BrO2/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h1,3-6H,7H2
InChIKey ZCODCUOOAHQHAW-UHFFFAOYSA-N
Mol Weight 239.07 g/mol
Molecular Formula C10H7BrO2
Exact Mass 237.962942 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IItg0PzXlsv
Name 4-Bromobenzoic acid prop-2-ynyl ester
Alternate Name(s) 4-Bromobenzoic acid propargyl ester Prop-2-ynyl 4-bromanylbenzoate Prop-2-ynyl 4-bromobenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H7BrO2
InChI InChI=1S/C10H7BrO2/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h1,3-6H,7H2
InChIKey ZCODCUOOAHQHAW-UHFFFAOYSA-N
Molecular Weight 239.068 g/mol
SMILES C(c1ccc(cc1)Br)(=O)OCC#C
SPLASH splash10-0ufr-9700000000-2235b6e2e2409b87c517
Source of Spectrum Y1-46-8305-0
Wiley ID 1622695