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Isobutylacetate

View entire compound with spectra: 20 NMR, 21 FTIR, 2 Raman, 29 MS (GC), and 2 Near IR

Isobutylacetate
SpectraBase Compound ID 21eblJKSqoB
InChI InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3
InChIKey GJRQTCIYDGXPES-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 D5EgXyZFt4t
Name ISOBUTYL-ACETATE
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C6H12O2
InChI InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3
InChIKey GJRQTCIYDGXPES-UHFFFAOYSA-N
Literature Reference Author I.C.JONES,G.J.SHARMAN,J.PIDGEON
Literature Reference Citation MAGN.RES.CHEM.,43,497(2005)
Literature Reference DOI 10.1002/mrc.1578
Molecular Weight 116.160 g/mol
Solvent CD3OD
Source File Reference UWLU36240