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5-Methyl-2-hexanone

View entire compound with spectra: 9 NMR, 8 FTIR, 1 Raman, 21 MS (GC), and 2 Near IR

5-Methyl-2-hexanone
SpectraBase Compound ID 5ZC8IErY2vt
InChI InChI=1S/C7H14O/c1-6(2)4-5-7(3)8/h6H,4-5H2,1-3H3
InChIKey FFWSICBKRCICMR-UHFFFAOYSA-N
Mol Weight 114.19 g/mol
Molecular Formula C7H14O
Exact Mass 114.104465 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JQY8arpSHoP
Name 5-Methyl-2-hexanone
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 110256
CAS Registry Number 110-12-3
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H14O
InChI InChI=1S/C7H14O/c1-6(2)4-5-7(3)8/h6H,4-5H2,1-3H3
InChIKey FFWSICBKRCICMR-UHFFFAOYSA-N
Observed nucleus 13C
Purity 99%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms Isobutylacetone Isopentyl methyl ketone
Wiley ID SIAL_13CNMR_000277