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2-Methyl-propionic acid, octyl ester

View entire compound with spectra: 10 NMR, 5 FTIR, and 7 MS (GC)

2-Methyl-propionic acid, octyl ester
SpectraBase Compound ID HC5ESZaitH2
InChI InChI=1S/C12H24O2/c1-4-5-6-7-8-9-10-14-12(13)11(2)3/h11H,4-10H2,1-3H3
InChIKey PQCYCHFQWMNQRJ-UHFFFAOYSA-N
Mol Weight 200.32 g/mol
Molecular Formula C12H24O2
Exact Mass 200.17763 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CPb4qG2NcqM
Name Octyl isobutyrate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number W280801
CAS Registry Number 109-15-9
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H24O2
InChI InChI=1S/C12H24O2/c1-4-5-6-7-8-9-10-14-12(13)11(2)3/h11H,4-10H2,1-3H3
InChIKey PQCYCHFQWMNQRJ-UHFFFAOYSA-N
Observed nucleus 13C
Purity >=98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_013097