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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 EK2utWxtQT4
Name 2-Hexanone
Carrier Gas Helium (1 mL/min)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 100.088815005 u
Formula C6H12O
GC Column DB-5ms (30 m x 0.25 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 250oC
InChI InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3
InChIKey QQZOPKMRPOGIEB-UHFFFAOYSA-N
Instrument Name Agilent series 7890B
Ionization Type EI
Literature Reference DOI 10.1021/acs.jafc.1c04415
Molecular Weight 100.161 g/mol
Quality 559
SMILES CC(=O)CCCC
SPLASH splash10-052f-9000000000-eb2f9869169d96bf881e
Source of Spectrum JAFC-70-SM5-5-1 (DOI: 10.1021/acs.jafc.1c04415)
Wiley ID 1911506