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1-[3-(4-fluoroanilino)-3-keto-propyl]-4-phenyl-isonipecotic acid ethyl ester
SpectraBase Compound ID 4JuueRBm0we
InChI InChI=1S/C23H27FN2O3/c1-2-29-22(28)23(18-6-4-3-5-7-18)13-16-26(17-14-23)15-12-21(27)25-20-10-8-19(24)9-11-20/h3-11H,2,12-17H2,1H3,(H,25,27)
InChIKey LIHIPJDKYVGEQP-UHFFFAOYSA-N
Mol Weight 398.48 g/mol
Molecular Formula C23H27FN2O3
Exact Mass 398.200571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8oT7LWQbrbV
Name 1-[3-(4-fluoroanilino)-3-keto-propyl]-4-phenyl-isonipecotic acid ethyl ester
Alternate Name(s) 1-[3-(4-fluoroanilino)-3-oxopropyl]-4-phenyl-4-piperidinecarboxylic acid ethyl ester Ethyl 1-[3-(4-fluoroanilino)-3-oxo-propyl]-4-phenyl-piperidine-4-carboxylate Ethyl 1-[3-[(4-fluorophenyl)amino]-3-oxidanylidene-propyl]-4-phenyl-piperidine-4-carboxylate
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Formula C23H27FN2O3
InChI InChI=1S/C23H27FN2O3/c1-2-29-22(28)23(18-6-4-3-5-7-18)13-16-26(17-14-23)15-12-21(27)25-20-10-8-19(24)9-11-20/h3-11H,2,12-17H2,1H3,(H,25,27)
InChIKey LIHIPJDKYVGEQP-UHFFFAOYSA-N
Molecular Weight 398.478 g/mol
SMILES N(C(CCN1CCC(C(=O)OCC)(CC1)c1ccccc1)=O)c1ccc(cc1)F
SPLASH splash10-0002-1591000000-f6a10ec5b77fe2384d47
Wiley ID 1459618