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syn-Ethyl 3-(1,3-dimethyl-4-oxo-1,2,3,4-tetrahydroquinolin-2-yl)propanoate
SpectraBase Compound ID Lc9e8W049L0
InChI InChI=1S/C16H21NO3/c1-4-20-15(18)10-9-13-11(2)16(19)12-7-5-6-8-14(12)17(13)3/h5-8,11,13H,4,9-10H2,1-3H3/t11-,13+/m0/s1
InChIKey DQVVPEKDXLKACL-WCQYABFASA-N
Mol Weight 275.35 g/mol
Molecular Formula C16H21NO3
Exact Mass 275.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9bqOxaWGQyu
Name syn-Ethyl 3-(1,3-dimethyl-4-oxo-1,2,3,4-tetrahydroquinolin-2-yl)propanoate
Appearance Yellow oil
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Exact Mass 275.152143537 u
Formula C16H21NO3
InChI InChI=1S/C16H21NO3/c1-4-20-15(18)10-9-13-11(2)16(19)12-7-5-6-8-14(12)17(13)3/h5-8,11,13H,4,9-10H2,1-3H3/t11-,13+/m0/s1
InChIKey DQVVPEKDXLKACL-WCQYABFASA-N
Instrument Name Thermo Finnigan TSQ 700
Ionization Type EI
Literature Reference DOI 10.1002/chem.201405852
Molecular Weight 275.348 g/mol
Quality 34
Reported Formula C16H21NO3
SMILES C[C@]1([C@](N(C2=C(C1=O)C=CC=C2)C)(CCC(OCC)=O)[H])[H]
SPLASH splash10-00fr-0950000000-75be8f7ffac9af773a24
Source of Spectrum QE-21-SM18-14 (DOI: 10.1002/chem.201405852)
Thin-Layer Chromatography 0.61 (CH2Cl2/EtOAc, 10:1)
Wiley ID 1907585