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6-Methyl-5-hepten-2-one
SpectraBase Compound ID ly0hJBX17N
InChI InChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h5H,4,6H2,1-3H3
InChIKey UHEPJGULSIKKTP-UHFFFAOYSA-N
Mol Weight 126.2 g/mol
Molecular Formula C8H14O
Exact Mass 126.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1TcpE7FYLfW
Name 6-Methyl-5-hepten-2-one
Carrier Gas Helium (1 mL/min)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 126.104465070 u
Formula C8H14O
GC Column DB-5ms (30 m x 0.25 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 250oC
InChI InChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h5H,4,6H2,1-3H3
InChIKey UHEPJGULSIKKTP-UHFFFAOYSA-N
Instrument Name Agilent series 7890B
Ionization Type EI
Literature Reference DOI 10.1021/acs.jafc.1c04415
Molecular Weight 126.199 g/mol
Quality 789
SMILES CC(C)=CCCC(C)=O
SPLASH splash10-0006-9100000000-c3d57496adf6953e6d1e
Source of Spectrum JAFC-70-SM10-10-2 (DOI: 10.1021/acs.jafc.1c04415)
Wiley ID 1911486