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N-(Heptan-2-yl)-2-oxohexanamide
SpectraBase Compound ID 1entw3QoQ2y
InChI InChI=1S/C13H25NO2/c1-4-6-8-9-11(3)14-13(16)12(15)10-7-5-2/h11H,4-10H2,1-3H3,(H,14,16)
InChIKey WTUJBYDPQBQUBJ-UHFFFAOYSA-N
Mol Weight 227.35 g/mol
Molecular Formula C13H25NO2
Exact Mass 227.188529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IGBtO57rnxp
Name N-(Heptan-2-yl)-2-oxohexanamide
Appearance Colorless oil
Carrier Gas Argon
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Formula C13H25NO2
InChI InChI=1S/C13H25NO2/c1-4-6-8-9-11(3)14-13(16)12(15)10-7-5-2/h11H,4-10H2,1-3H3,(H,14,16)
InChIKey WTUJBYDPQBQUBJ-UHFFFAOYSA-N
Instrument Name AMD 402
Ionization Type EI
Literature Reference DOI 10.1002/anie.202200062
Molecular Weight 227.348 g/mol
Quality 158
Reported Formula C13H25NO2
SMILES N(C(C(CCCC)=O)=O)C(CCCCC)C
SPLASH splash10-0a4i-9000000000-d50538bc1275f57fc21d
Source of Spectrum ACI-61-SM25-3aq (DOI: 10.1002/anie.202200062)
Thin-Layer Chromatography 0.6 (pentane/EA, 20:1)
Wiley ID 1897580