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Acetic acid butyl ester
SpectraBase Compound ID 4poB0lQ128D
InChI InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3
InChIKey DKPFZGUDAPQIHT-UHFFFAOYSA-N
Mol Weight 116.16 g/mol
Molecular Formula C6H12O2
Exact Mass 116.08373 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3TmqpMDpn7t
Name Acetic acid, butyl ester
CAS Registry Number 123-86-4
Comments SHIFTCORRECTION: +1.0 PPM (A.H.)
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Formula C6H12O2
InChI InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3
InChIKey DKPFZGUDAPQIHT-UHFFFAOYSA-N
Instrument Name Special
Literature Reference D.E. Dorman, D. Bauer, J.D. Roberts, J. Org. Chem. 40, 3729 (1975).
NMR Standard CS2
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Dioxane