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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6OcxHLKb0s0
Name 2,4-Dimethyl-3-pentanone
Alternate Name(s) Dimethyl-3-pentanone<2,4->
CAS Registry Number 565-80-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H14O
GC Column J&W DB-5 (30 m x 0.25 mm ID x 0.25 ??m film thickness)
GC Oven Program 60 ??C to 246 ??C at 3 ??C/min.
InChI InChI=1S/C7H14O/c1-5(2)7(8)6(3)4/h5-6H,1-4H3
InChIKey HXVNBWAKAOHACI-UHFFFAOYSA-N
Molecular Weight 114.188 g/mol
SMILES C(C(C(C)C)=O)(C)C
SPLASH splash10-0006-9000000000-fe215d670b33a7882ca2
Source ex ALDRICH ex JJ BROPHY
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID 1887913