(+/-)-threo-3,4-Dichloromethylphenidate

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Systematic / IUPAC Name: Methyl (2R)-(3,4-dichlorophenyl)[(2R)-2-piperidinyl]acetate

ID: Reference5912

Other Names: 3,4-Dichloromethylphenidate;
2-Piperidineacetic acid, α-(3,4-dichlorophenyl)-, methyl ester, (αR,2R)-

Formula: C14H17Cl2NO2

Class: Drugs of Abuse/Illegal Drugs

Spectral Data

(+/-)-threo-3,4-Dichloromethylphenidate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Plus Orbitrap
No. of Spectral Trees 1
No. of Spectra 118
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 11/7/2016 1:27:43 PM
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Identificators

InChI InChI=1S/C14H17Cl2NO2/c1-19-14(18)13(12-4-2-3-7-17-12)9-5-6-10(15)11(16)8-9/h5-6,8,12-13,17H,2-4,7H2,1H3/t12-,13-/m1/s1
InChI Key JUKMAYKVHWKRKY-CHWSQXEVSA-N
Canonical SMILES COC(=O)C(C1CCCCN1)C2=CC(=C(C=C2)Cl)Cl
CAS
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Other Names 3,4-Dichloromethylphenidate;
2-Piperidineacetic acid, α-(3,4-dichlorophenyl)-, methyl ester, (αR,2R)-

In Other Databases

PubChem 44296390
ChEMBL CHEMBL1179011
ChemSpider 25036964
Wikipedia 3,4-Dichloromethylphenidate