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Benzoic acid tert-butyl ester
SpectraBase Compound ID 9yxMcgZ3Gl6
InChI InChI=1S/C11H14O2/c1-11(2,3)13-10(12)9-7-5-4-6-8-9/h4-8H,1-3H3
InChIKey LYDRKKWPKKEMNZ-UHFFFAOYSA-N
Mol Weight 178.23 g/mol
Molecular Formula C11H14O2
Exact Mass 178.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KOz2ETW1hNK
Name Benzoic acid tert-butyl ester
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14O2
InChI InChI=1S/C11H14O2/c1-11(2,3)13-10(12)9-7-5-4-6-8-9/h4-8H,1-3H3
InChIKey LYDRKKWPKKEMNZ-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/open.201900130
Molecular Weight 178.231 g/mol
SMILES c1cc(ccc1)C(=O)OC(C)(C)C
SPLASH splash10-0a4i-9800000000-4910523665d85aeb8071
Source of Spectrum CHO-8-SM9-13
Thin-Layer Chromatography Rf = 0.34 (petroleum ether/EtOAc, 50:1)
Wiley ID 1835505