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3-Acetoxybenzoic Acid t-Butyl Ester
SpectraBase Compound ID 77cPF5TJ3mx
InChI InChI=1S/C13H16O4/c1-9(14)16-11-7-5-6-10(8-11)12(15)17-13(2,3)4/h5-8H,1-4H3
InChIKey BBNFDTNXSVVHIU-UHFFFAOYSA-N
Mol Weight 236.27 g/mol
Molecular Formula C13H16O4
Exact Mass 236.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AOTQU8SijNC
Name 3-Acetoxybenzoic Acid t-Butyl Ester
Alternate Name(s) tert-Butyl 3-acetoxybenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O4
InChI InChI=1S/C13H16O4/c1-9(14)16-11-7-5-6-10(8-11)12(15)17-13(2,3)4/h5-8H,1-4H3
InChIKey BBNFDTNXSVVHIU-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200303040
Molecular Weight 236.267 g/mol
SMILES C(=O)(OC(C)(C)C)c1cccc(c1)OC(=O)C
SPLASH splash10-000l-5900000000-31705ef81fc0e10c2781
Source of Spectrum ASC-345-946-4c
Wiley ID 1767418