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(+/-)-threo-4-Fluoromethylphenidate hydrochloride
SpectraBase Compound ID GC9IoEJVee5
InChI InChI=1S/C14H18FNO2.ClH/c1-18-14(17)13(12-4-2-3-9-16-12)10-5-7-11(15)8-6-10;/h5-8,12-13,16H,2-4,9H2,1H3;1H/t12-,13-;/s2
InChIKey NCCJEXAXCWALQG-XAPIXSTRSA-N
Mol Weight 287.76 g/mol
Molecular Formula C14H19ClFNO2
Exact Mass 287.108835 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 3QuQ3jYojBC
Name (+/-)-threo-4-Fluoromethylphenidate hydrochloride
Source of Sample Cayman Chemical Company
Catalog Number 9002651
Lot Number 0480761-8
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Formula C14H19ClFNO2
IUPAC Name (αR,2R)-rel-α-(4-Fluorophenyl)-2-piperidineacetic acid, methyl ester, monohydrochloride
InChI InChI=1S/C14H18FNO2.ClH/c1-18-14(17)13(12-4-2-3-9-16-12)10-5-7-11(15)8-6-10;/h5-8,12-13,16H,2-4,9H2,1H3;1H/t12-,13-;/s2
InChIKey NCCJEXAXCWALQG-XAPIXSTRSA-N
Instrument Name Bio-Rad FTS
SMILES N1CCCC[C@@]1([C@@](c1ccc(cc1)F)(C(OC)=O)[H])[H].Cl
Scan Speed (number) 5
Synonyms (+/-)-threo-4-Fluoromethylphenidate HCl
Technique KBr0