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Methylphenidate TFA
SpectraBase Compound ID 535JvuhIpXK
InChI InChI=1S/C16H18F3NO3/c1-23-14(21)13(11-7-3-2-4-8-11)12-9-5-6-10-20(12)15(22)16(17,18)19/h2-4,7-8,12-13H,5-6,9-10H2,1H3
InChIKey VWHAIRLERWBGPH-UHFFFAOYSA-N
Mol Weight 329.32 g/mol
Molecular Formula C16H18F3NO3
Exact Mass 329.123878 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID qkhL7fkuof
Name 2-Phenyl-2-[1-(2,2,2-trifluoro-1-oxoethyl)-2-piperidinyl]acetic acid methyl ester
CAS Registry Number 27765-90-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18F3NO3
InChI InChI=1S/C16H18F3NO3/c1-23-14(21)13(11-7-3-2-4-8-11)12-9-5-6-10-20(12)15(22)16(17,18)19/h2-4,7-8,12-13H,5-6,9-10H2,1H3
InChIKey VWHAIRLERWBGPH-UHFFFAOYSA-N
Molecular Weight 329.319 g/mol
SMILES C(N1C(C(C(=O)OC)c2ccccc2)CCCC1)(C(F)(F)F)=O
SPLASH splash10-001i-4900000000-7a1cc2e3912b0d9890b4
Source of Spectrum JC-541-114-0
Synonyms 2-Phenyl-2-[1-(2,2,2-trifluoroacetyl)-2-piperidyl]acetic acid methyl ester Methyl 2-phenyl-2-[1-(2,2,2-trifluoroacetyl)-2-piperidyl]acetate Methyl 2-phenyl-2-[1-(2,2,2-trifluoroacetyl)piperidin-2-yl]acetate Methyl 2-phenyl-2-[1-[2,2,2-tris(fluoranyl)ethanoyl]piperidin-2-yl]ethanoate Methyl phenyl[1-(trifluoroacetyl)-2-piperidinyl]acetate Methylphenidate, N-trifluoroacetyl-
Wiley ID 1327013