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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 B4M0TbUDGRU
Name 1,1-Dimethylethyl benzoate
CAS Registry Number 774-65-2
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
Molecular Weight 178.231 g/mol
SMILES c1cccc(C(OC(C)(C)C)=O)c1
SPLASH splash10-0adi-4900000000-b51556bb0c9a0a9f8e2f
Source of Spectrum ACI-54-2270/SM-2o
Synonyms Benzoic acid 1,1-dimethylethyl ester tert-Butyl benzoate Benzoic acid tert-butyl ester t-Butyl benzoate Trimethylcarbinol benzoate
Wiley ID 1760271