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2-Methyl-4-heptanone
SpectraBase Compound ID IzstWAvdwZA
InChI InChI=1S/C8H16O/c1-4-5-8(9)6-7(2)3/h7H,4-6H2,1-3H3
InChIKey AKRJXOYALOGLHQ-UHFFFAOYSA-N
Mol Weight 128.21 g/mol
Molecular Formula C8H16O
Exact Mass 128.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IjjKOGTcb9T
Name 4-Heptanone, 2-methyl-
Alternate Name(s) 2-Methyl-4-heptanone 2-Methylheptan-4-one Isobutyl propyl ketone AI3-28138 EINECS 210-943-1
CAS Registry Number 626-33-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H16O
InChI InChI=1S/C8H16O/c1-4-5-8(9)6-7(2)3/h7H,4-6H2,1-3H3
InChIKey AKRJXOYALOGLHQ-UHFFFAOYSA-N
Molecular Weight 128.215 g/mol
SMILES CC(CC(CCC)=O)C
SPLASH splash10-052f-9000000000-395b1ecaa6cb31323b77
Source of Spectrum JX-2015-6-3285
Wiley ID 1728521