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2-(6-Methoxypyridin-3-yl)heptan-3-one
SpectraBase Compound ID GR5KFctdbfW
InChI InChI=1S/C13H19NO2/c1-4-5-6-12(15)10(2)11-7-8-13(16-3)14-9-11/h7-10H,4-6H2,1-3H3
InChIKey HMZSJYLXKOGIMU-UHFFFAOYSA-N
Mol Weight 221.3 g/mol
Molecular Formula C13H19NO2
Exact Mass 221.141579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FvX0ebpXD6Z
Name 2-(6-Methoxypyridin-3-yl)heptan-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 221.141578854 u
Formula C13H19NO2
InChI InChI=1S/C13H19NO2/c1-4-5-6-12(15)10(2)11-7-8-13(16-3)14-9-11/h7-10H,4-6H2,1-3H3
InChIKey HMZSJYLXKOGIMU-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201700216
Molecular Weight 221.300 g/mol
Quality 24
Reported Formula C13H19NO2
SMILES C1=CC(=NC=C1C(C(=O)CCCC)C)OC
SPLASH splash10-000i-0900000000-2aa64bea5f80fb4ef31b
Source of Spectrum ACI-56-SM19-11b (DOI: 10.1002/anie.201700216)
Wiley ID 1895720