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Hexanoic acid isobutyl ester

View entire compound with spectra: 6 NMR, 11 FTIR, 1 Raman, and 16 MS (GC)

Hexanoic acid isobutyl ester
SpectraBase Compound ID 6rV34nbm0ks
InChI InChI=1S/C10H20O2/c1-4-5-6-7-10(11)12-8-9(2)3/h9H,4-8H2,1-3H3
InChIKey UXUPPWPIGVTVQI-UHFFFAOYSA-N
Mol Weight 172.27 g/mol
Molecular Formula C10H20O2
Exact Mass 172.14633 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5HxgXcOonrT
Name Isobutyl hexanoate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number W220205
CAS Registry Number 105-79-3
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H20O2
InChI InChI=1S/C10H20O2/c1-4-5-6-7-10(11)12-8-9(2)3/h9H,4-8H2,1-3H3
InChIKey UXUPPWPIGVTVQI-UHFFFAOYSA-N
Observed nucleus 13C
Purity >=98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms Isobutyl caproate
Wiley ID SIAL_13CNMR_013035