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4-Methyl-3-hexanone
SpectraBase Compound ID JR9XgdJr6c6
InChI InChI=1S/C7H14O/c1-4-6(3)7(8)5-2/h6H,4-5H2,1-3H3
InChIKey ULPMRIXXHGUZFA-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 C0aianTUrPY
Name 3-Hexanone, 4-methyl-
Alternate Name(s) 4-Methyl-3-hexanone 4-Methylhexan-3-one Ethyl sec-butyl ketone sec-butyl ethyl ketone EINECS 241-111-6
CAS Registry Number 17042-16-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H14O
InChI InChI=1S/C7H14O/c1-4-6(3)7(8)5-2/h6H,4-5H2,1-3H3
InChIKey ULPMRIXXHGUZFA-UHFFFAOYSA-N
Molecular Weight 114.188 g/mol
SMILES C(=O)(C(CC)C)CC
SPLASH splash10-0a6r-9000000000-ff9ee7b466cc341ea392
Source of Spectrum W5-1989-2495-1
Wiley ID 1124674