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2,4-Dimethyl-3-pentanone

View entire compound with spectra: 69 NMR, 6 FTIR, 1 Raman, 24 MS (GC), and 2 Near IR

2,4-Dimethyl-3-pentanone
SpectraBase Compound ID 5Z4sBGxBrnr
InChI InChI=1S/C7H14O/c1-5(2)7(8)6(3)4/h5-6H,1-4H3
InChIKey HXVNBWAKAOHACI-UHFFFAOYSA-N
Mol Weight 114.19 g/mol
Molecular Formula C7H14O
Exact Mass 114.104465 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Fb2MoHlzQEb
Name 2,4-Dimethyl-3-pentanone
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 136867
CAS Registry Number 565-80-0
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/c1-5(2)7(8)6(3)4/h5-6H,1-4H3
InChIKey HXVNBWAKAOHACI-UHFFFAOYSA-N
Observed nucleus 1H
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms Diisopropyl ketone Isobutyrone
Wiley ID SIAL_1HNMR_001050