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t-Butyl 4-bromobenzoate
SpectraBase Compound ID KOh5pa7PnQ1
InChI InChI=1S/C11H13BrO2/c1-11(2,3)14-10(13)8-4-6-9(12)7-5-8/h4-7H,1-3H3
InChIKey BFJJYXUCGYOXDM-UHFFFAOYSA-N
Mol Weight 257.13 g/mol
Molecular Formula C11H13BrO2
Exact Mass 256.009893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5iYzf6C2ZGs
Name t-Butyl 4-bromobenzoate
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13BrO2
InChI InChI=1S/C11H13BrO2/c1-11(2,3)14-10(13)8-4-6-9(12)7-5-8/h4-7H,1-3H3
InChIKey BFJJYXUCGYOXDM-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/open.201900130
Molecular Weight 257.127 g/mol
SMILES c1cc(ccc1Br)C(=O)OC(C)(C)C
SPLASH splash10-0pc0-7940000000-8ac90bb8a70651c654d1
Source of Spectrum CHO-8-SM8-12
Thin-Layer Chromatography Rf = 0.24 (petroleum ether/EtOAc, 100:1)
Wiley ID 1835504