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Acetic acid sec-butyl ester

View entire compound with spectra: 23 NMR, 7 FTIR, 1 Raman, and 17 MS (GC)

Acetic acid sec-butyl ester
SpectraBase Compound ID GrSYXLNfLwI
InChI InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3
InChIKey DCKVNWZUADLDEH-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 3sWukMRTBc9
Name Acetic acid, sec-butyl ester
CAS Registry Number 61117-04-2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C6H12O2
InChI InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3
InChIKey DCKVNWZUADLDEH-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Literature Reference P.A. Couperus, A.D. Clague, Org. Magn. Resonance 11, 590 (1978).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3