John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=3VglUw5XP5v SpectraBase Spectrum ID=10GaRiY5gTo

(accessed ).
Terephthalic acid, monobutyl ester
SpectraBase Compound ID 3VglUw5XP5v
InChI InChI=1S/C12H14O4/c1-2-3-8-16-12(15)10-6-4-9(5-7-10)11(13)14/h4-7H,2-3,8H2,1H3,(H,13,14)
InChIKey QLUQHFODHZKSDT-UHFFFAOYSA-N
Mol Weight 222.24 g/mol
Molecular Formula C12H14O4
Exact Mass 222.089209 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 10GaRiY5gTo
Name TEREPHTHALIC ACID, MONOBUTYL ESTER
Source of Sample Eastman Organic Chemicals, Rochester, New York
Copyright Copyright © 1980, 1981-2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O4
InChI InChI=1S/C12H14O4/c1-2-3-8-16-12(15)10-6-4-9(5-7-10)11(13)14/h4-7H,2-3,8H2,1H3,(H,13,14)
InChIKey QLUQHFODHZKSDT-UHFFFAOYSA-N
Melting Point 135-136C
Molecular Weight 222.24
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
SpectraBase Batch ID 2AHkNYmn7Yw