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isobutyric acid, isopentyl ester

View entire compound with spectra: 4 NMR, 6 FTIR, and 15 MS (GC)

isobutyric acid, isopentyl ester
SpectraBase Compound ID JXIcOT8DSP9
InChI InChI=1S/C9H18O2/c1-7(2)5-6-11-9(10)8(3)4/h7-8H,5-6H2,1-4H3
InChIKey VFTGLSWXJMRZNB-UHFFFAOYSA-N
Mol Weight 158.24 g/mol
Molecular Formula C9H18O2
Exact Mass 158.13068 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6yqWALz0bNV
Name Isoamyl isobutyrate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number W350702
CAS Registry Number 2050-01-3
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H18O2
InChI InChI=1S/C9H18O2/c1-7(2)5-6-11-9(10)8(3)4/h7-8H,5-6H2,1-4H3
InChIKey VFTGLSWXJMRZNB-UHFFFAOYSA-N
Observed nucleus 13C
Purity >=98%, FG
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms Isopentyl isobutyrate 3-Methyl-1-butyl isobutyrate
Wiley ID SIAL_13CNMR_013201