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Methyl 3-(pyridine-4-yl)propanoate
SpectraBase Compound ID 7Fku6W6EFQI
InChI InChI=1S/C9H11NO2/c1-12-9(11)3-2-8-4-6-10-7-5-8/h4-7H,2-3H2,1H3
InChIKey JAIXBISQDJNKFO-UHFFFAOYSA-N
Mol Weight 165.19 g/mol
Molecular Formula C9H11NO2
Exact Mass 165.078979 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HtWf1Y1DbKt
Name Methyl 3-(pyridine-4-yl)propanoate
Appearance Colorless oil
Carrier Gas Hydrogen (30 ml/min, 10 psi)
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Exact Mass 165.078978596 u
Formula C9H11NO2
GC Column Macherey-Nagel-1-MS (30 m x 0.25 mm)
GC Oven Program Oven temp 300oC
InChI InChI=1S/C9H11NO2/c1-12-9(11)3-2-8-4-6-10-7-5-8/h4-7H,2-3H2,1H3
InChIKey JAIXBISQDJNKFO-UHFFFAOYSA-N
Instrument Name Agilent HP6890-5937N
Ionization Type EI
Literature Reference DOI 10.1002/chem.202201670
Molecular Weight 165.192 g/mol
Quality 286
SMILES COC(CCC1=CC=NC=C1)=O
SPLASH splash10-0aor-1900000000-a52fc4ddcef7a9cf0055
Source of Spectrum QE-28-SM38-20 (DOI: 10.1002/chem.202201670)
Thin-Layer Chromatography 0.14 (cHex/EtOAc 1:1)
Wiley ID 1900620