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(S)-(-)-N-(pentafluorobenzylcarbamoyl)-threo-methylphenidate
SpectraBase Compound ID Em7QmGn7Wpe
InChI InChI=1S/C27H27F5N2O5/c1-38-26(36)19(15-8-3-2-4-9-15)17-10-5-6-12-33(17)25(35)18-11-7-13-34(18)27(37)39-14-16-20(28)22(30)24(32)23(31)21(16)29/h2-4,8-9,17-19H,5-7,10-14H2,1H3/t17-,18-,19-/m0/s1
InChIKey MIEZHQUQIFRGSK-FHWLQOOXSA-N
Mol Weight 554.51 g/mol
Molecular Formula C27H27F5N2O5
Exact Mass 554.184013 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8bDZpiESLlM
Name (S)-(-)-N-(pentafluorobenzylcarbamoyl)-threo-methylphenidate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H27F5N2O5
InChI InChI=1S/C27H27F5N2O5/c1-38-26(36)19(15-8-3-2-4-9-15)17-10-5-6-12-33(17)25(35)18-11-7-13-34(18)27(37)39-14-16-20(28)22(30)24(32)23(31)21(16)29/h2-4,8-9,17-19H,5-7,10-14H2,1H3/t17-,18-,19-/m0/s1
InChIKey MIEZHQUQIFRGSK-FHWLQOOXSA-N
Literature Reference DOI 10.1002/rcm.6146
Molecular Weight 554.514 g/mol
SMILES c1(F)c(F)c(F)c(F)c(COC(=O)N2[C@](C(=O)N3[C@@](CCCC3)([C@](c3ccccc3)(C(=O)OC)[H])[H])(CCC2)[H])c1F
SPLASH splash10-0f8c-4890100000-0c36359c85cb74b3a792
Source of Spectrum RCM-26-595-Fig2,CpdB
Synonyms (perfluorophenyl)methyl (S)-2-((S)-2-((S)-2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carbonyl)pyrrolidine-1-carboxylate
Wiley ID 1814888