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2-Hexanone
SpectraBase Compound ID 7k7EdY0L2T7
InChI InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3
InChIKey QQZOPKMRPOGIEB-UHFFFAOYSA-N
Mol Weight 100.16 g/mol
Molecular Formula C6H12O
Exact Mass 100.088815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LT5qTYy1IJV
Name 2-Hexanone
CAS Registry Number 591-78-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H12O
InChI InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3
InChIKey QQZOPKMRPOGIEB-UHFFFAOYSA-N
Molecular Weight 100.161 g/mol
SMILES CC(CCCC)=O
SPLASH splash10-052f-9000000000-01c1fc79f1a1fdd0bd34
Source of Spectrum W-25-711-4
Synonyms 2-Hexanone methyl n-butyl ketone 2-Oxohexane Butyl methyl ketone Hexan-2-one Hexanone-2 Ketone, butyl methyl MBK Methyl butyl ketone MNBK n-Butyl methyl ketone N-C4H9COCH3 Propylacetone BRN 1737676 EINECS 209-731-1 HSDB 543
Wiley ID 1119592