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(S)-(+)-N-Benzyl-2-{[(N-methylbenzyl)amino]methyl}-2-(trifluoromethyl)pyrrolidine
SpectraBase Compound ID 4zBoCoHVymN
InChI InChI=1S/C21H25F3N2/c1-17(19-11-6-3-7-12-19)25-16-20(21(22,23)24)13-8-14-26(20)15-18-9-4-2-5-10-18/h2-7,9-12,17,25H,8,13-16H2,1H3/t17-,20?/m0/s1
InChIKey AZNMCWHGVRSIKG-DIMJTDRSSA-N
Mol Weight 362.44 g/mol
Molecular Formula C21H25F3N2
Exact Mass 362.196983 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AqI1RNqoF0t
Name (S)-(+)-N-Benzyl-2-{[(N-methylbenzyl)amino]methyl}-2-(trifluoromethyl)pyrrolidine
Appearance Yellow oil
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Formula C21H25F3N2
InChI InChI=1S/C21H25F3N2/c1-17(19-11-6-3-7-12-19)25-16-20(21(22,23)24)13-8-14-26(20)15-18-9-4-2-5-10-18/h2-7,9-12,17,25H,8,13-16H2,1H3/t17-,20?/m0/s1
InChIKey AZNMCWHGVRSIKG-DIMJTDRSSA-N
Instrument Name Shimadzu GCMS-QP 2010S
Ionization Type EI
Literature Reference DOI 10.1002/chem.201502084
Molecular Weight 362.440 g/mol
Optical Rotation [a]D20 = +26 (c = 0.8, CHCl3)
Quality 139
Reported Formula C21H25F3N2
SMILES N(CC1(CCCN1CC1=CC=CC=C1)C(F)(F)F)[C@@](C)(C1=CC=CC=C1)[H]
SPLASH splash10-0a4l-9540000000-85eb0fd42c6c5479b0cb
Source of Spectrum QE-21-SM19-(+)-9b (DOI: 10.1002/chem.201502084)
Wiley ID 1906914