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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 Ja7TKhRh5cE
Name 2,4-Dimethyl-3-pentanone
Alternate Name(s) 3-Pentanone, 2,4-dimethyl- (iso-C3H7)2CO 2,4-Dimethylpentan-3-one Di-iso-propyl ketone Isobutyrone Isopropyl ketone EINECS 209-294-7 NSC 14662 PM 2763
CAS Registry Number 565-80-0
Copyright Copyright © 2020-2024 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
Molecular Weight 114.188 g/mol
SMILES CC(C(=O)C(C)C)C
SPLASH splash10-0006-9000000000-a4215ecc02e9bf78056a
Source of Spectrum NP-0-4065-0
Wiley ID 1095578