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p-tert-butylbenzoic acid, ethyl ester
SpectraBase Compound ID 73HoPapYLHf
InChI InChI=1S/C13H18O2/c1-5-15-12(14)10-6-8-11(9-7-10)13(2,3)4/h6-9H,5H2,1-4H3
InChIKey LIQWHXBLFOERRD-UHFFFAOYSA-N
Mol Weight 206.28 g/mol
Molecular Formula C13H18O2
Exact Mass 206.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CtZHh3av72m
Name Ethyl p-tert-butyl benzoic acid
Alternate Name(s) Ethyl 4-tert-butylbenzoate
CAS Registry Number 5406-57-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O2
InChI InChI=1S/C13H18O2/c1-5-15-12(14)10-6-8-11(9-7-10)13(2,3)4/h6-9H,5H2,1-4H3
InChIKey LIQWHXBLFOERRD-UHFFFAOYSA-N
Molecular Weight 206.285 g/mol
SMILES c1cc(ccc1C(C)(C)C)C(OCC)=O
SPLASH splash10-0006-2900000000-99ea8123dcc3687bb490
Source of Spectrum RB-1982-14023-0
Wiley ID 1204594