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Methyl 2-[7-(benzyloxy)-2-chloroquinolin-3-yl]-2-methylpropanoate
SpectraBase Compound ID JylfPq1Krme
InChI InChI=1S/C21H20ClNO3/c1-21(2,20(24)25-3)17-11-15-9-10-16(12-18(15)23-19(17)22)26-13-14-7-5-4-6-8-14/h4-12H,13H2,1-3H3
InChIKey DHIMXARQAYDMIC-UHFFFAOYSA-N
Mol Weight 369.85 g/mol
Molecular Formula C21H20ClNO3
Exact Mass 369.113171 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IamHG9CPEB9
Name Methyl 2-[7-(benzyloxy)-2-chloroquinolin-3-yl]-2-methylpropanoate
Appearance Bright yellow viscous oil
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Formula C21H20ClNO3
InChI InChI=1S/C21H20ClNO3/c1-21(2,20(24)25-3)17-11-15-9-10-16(12-18(15)23-19(17)22)26-13-14-7-5-4-6-8-14/h4-12H,13H2,1-3H3
InChIKey DHIMXARQAYDMIC-UHFFFAOYSA-N
Instrument Name HP 6890 Series
Ionization Type EI
Literature Reference DOI 10.1002/anie.201814193
Molecular Weight 369.848 g/mol
Reported Formula C21H20ClNO3
SMILES COC(=O)C(C)(C)c1cc2ccc(OCc3ccccc3)cc2nc1Cl
SPLASH splash10-0006-9008000000-932a4117e534bdb99f07
Source of Spectrum ACI-58-SM14-S8
Thin-Layer Chromatography Rf = 0.58 (Cy/EtOAc, 2:1)
Wiley ID 1843138