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(-)-IsoButyl 3-Chloro-4-(4-fluorophenyl)-1-benzylpiperidine-5-carboxylate

View entire compound with spectra: 1 MS (GC)

(-)-IsoButyl 3-Chloro-4-(4-fluorophenyl)-1-benzylpiperidine-5-carboxylate
SpectraBase Compound ID 522hojg7j3P
InChI InChI=1S/C23H27ClFNO2/c1-16(2)15-28-23(27)20-13-26(12-17-6-4-3-5-7-17)14-21(24)22(20)18-8-10-19(25)11-9-18/h3-11,16,20-22H,12-15H2,1-2H3/t20-,21-,22-/m0/s1
InChIKey VCJWDXNXYLGUHT-FKBYEOEOSA-N
Mol Weight 403.93 g/mol
Molecular Formula C23H27ClFNO2
Exact Mass 403.171435 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AQMrtVYrN59
Name (-)-IsoButyl 3-Chloro-4-(4-fluorophenyl)-1-benzylpiperidine-5-carboxylate
Alternate Name(s) (3R,4R,5R)-1-Benzyl-5-chloro-4-(4-fluoro-phenyl)-piperidine-3-carboxylic acid isobutyl ester isobutyl 1-benzyl-5-chloro-4-(4-fluorophenyl)-3-piperidinecarboxylate
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Formula C23H27ClFNO2
InChI InChI=1S/C23H27ClFNO2/c1-16(2)15-28-23(27)20-13-26(12-17-6-4-3-5-7-17)14-21(24)22(20)18-8-10-19(25)11-9-18/h3-11,16,20-22H,12-15H2,1-2H3/t20-,21-,22-/m0/s1
InChIKey VCJWDXNXYLGUHT-FKBYEOEOSA-N
Molecular Weight 403.925 g/mol
SMILES [C@@]1([C@@]([C@](CN(C1)Cc1ccccc1)(Cl)[H])(c1ccc(cc1)F)[H])(C(OCC(C)C)=O)[H]
SPLASH splash10-00kf-6019000000-fee85fb365a41d7fb779
Source of Spectrum AT-42-5707-7
Wiley ID 855201