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3,4-CTMP TFA derivative
SpectraBase Compound ID FrGKY8jl2Wr
InChI InChI=1S/C16H16Cl2F3NO3/c1-25-14(23)13(9-5-6-10(17)11(18)8-9)12-4-2-3-7-22(12)15(24)16(19,20)21/h5-6,8,12-13H,2-4,7H2,1H3
InChIKey IFZYHYZRBGBGEG-UHFFFAOYSA-N
Mol Weight 398.21 g/mol
Molecular Formula C16H16Cl2F3NO3
Exact Mass 397.045933 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID APVZZjdFKhD
Name 3,4-CTMP TFA derivative
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16Cl2F3NO3
InChI InChI=1S/C16H16Cl2F3NO3/c1-25-14(23)13(9-5-6-10(17)11(18)8-9)12-4-2-3-7-22(12)15(24)16(19,20)21/h5-6,8,12-13H,2-4,7H2,1H3
InChIKey IFZYHYZRBGBGEG-UHFFFAOYSA-N
Molecular Weight 398.209 g/mol
SMILES C(C(=O)N1CCCCC1C(c1cc(c(cc1)Cl)Cl)C(=O)OC)(F)(F)F
SPLASH splash10-001i-1900000000-5b7b2108776f494053e9
Source of Spectrum SWG-33-4082-0
Synonyms 3,4-Dichloromethylphenidate TFA derivative Methyl 2-(3,4-dichlorophenyl)-2-(1-(2,2,2-trifluoroacetyl)piperidin-2-yl)acetate
Wiley ID 1810733