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syn-Mesityl 3-(1,3-dimethyl-4-oxo-1,2,3,4-tetrahydroquinolin-2-yl)propanoate
SpectraBase Compound ID A3UUkoLaqxf
InChI InChI=1S/C23H27NO3/c1-14-12-15(2)23(16(3)13-14)27-21(25)11-10-19-17(4)22(26)18-8-6-7-9-20(18)24(19)5/h6-9,12-13,17,19H,10-11H2,1-5H3/t17-,19+/m0/s1
InChIKey VBHCVPGTHKJZDS-PKOBYXMFSA-N
Mol Weight 365.47 g/mol
Molecular Formula C23H27NO3
Exact Mass 365.199094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EOzt7ntuJrt
Name syn-Mesityl 3-(1,3-dimethyl-4-oxo-1,2,3,4-tetrahydroquinolin-2-yl)propanoate
Appearance Yellow oil
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Exact Mass 365.199093730 u
Formula C23H27NO3
InChI InChI=1S/C23H27NO3/c1-14-12-15(2)23(16(3)13-14)27-21(25)11-10-19-17(4)22(26)18-8-6-7-9-20(18)24(19)5/h6-9,12-13,17,19H,10-11H2,1-5H3/t17-,19+/m0/s1
InChIKey VBHCVPGTHKJZDS-PKOBYXMFSA-N
Instrument Name Thermo Finnigan TSQ 700
Ionization Type EI
Literature Reference DOI 10.1002/chem.201405852
Molecular Weight 365.473 g/mol
Quality 82
Reported Formula C23H27NO3
SMILES C1(=C(C(=CC(=C1)C)C)OC(CC[C@]1(N(C2=C(C([C@]1(C)[H])=O)C=CC=C2)C)[H])=O)C
SPLASH splash10-00e9-0943000000-157aa3acd7f91fc3d024
Source of Spectrum QE-21-SM19-16 (DOI: 10.1002/chem.201405852)
Thin-Layer Chromatography 0.58 (CH2Cl2/EtOAc,10:1)
Wiley ID 1907587