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2-Heptanone, 6-methyl-
SpectraBase Compound ID ELxN5i9eQE3
InChI InChI=1S/C8H16O/c1-7(2)5-4-6-8(3)9/h7H,4-6H2,1-3H3
InChIKey DPLGXGDPPMLJHN-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 1iPdKd8pkW
Name 6-methylhept-2-one
Appearance Colourless liquid
Carrier Gas Helium
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Exact Mass 128.120115134 u
Formula C8H16O
InChI InChI=1S/C8H16O/c1-7(2)5-4-6-8(3)9/h7H,4-6H2,1-3H3
InChIKey DPLGXGDPPMLJHN-UHFFFAOYSA-N
Instrument Name Agilent 7890B-5977A
Ionization Type EI
Literature Reference DOI 10.1002/anie.201711142
Molecular Weight 128.215 g/mol
Quality 440
SMILES C(CCC(C)C)C(C)=O
SPLASH splash10-052f-9100000000-d1fb2dc46c002e03abdf
Source of Spectrum ACI-56-SM42-S5 (DOI: 10.1002/anie.201711142)
Thin-Layer Chromatography 0.25 (cyclohexane/EtOAc, 20:1)
Wiley ID 1896775