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(2S,4S)-2-[bis[3,5-bis(trifluoromethyl)phenyl]-hydroxymethyl]-4-(dimethylamino)pyrrolidine

View entire compound with spectra: 1 MS (GC)

(2S,4S)-2-[bis[3,5-bis(trifluoromethyl)phenyl]-hydroxymethyl]-4-(dimethylamino)pyrrolidine
SpectraBase Compound ID 6bGdOvZux2r
InChI InChI=1S/C23H20F12N2O/c1-37(2)17-9-18(36-10-17)19(38,11-3-13(20(24,25)26)7-14(4-11)21(27,28)29)12-5-15(22(30,31)32)8-16(6-12)23(33,34)35/h3-8,17-18,36,38H,9-10H2,1-2H3/t17-,18-/m0/s1
InChIKey YOMHNUYHKIRLFB-ROUUACIJSA-N
Mol Weight 568.41 g/mol
Molecular Formula C23H20F12N2O
Exact Mass 568.138401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1RkAekvjpaG
Name (2S,4S)-2-[bis[3,5-bis(trifluoromethyl)phenyl]-hydroxymethyl]-4-(dimethylamino)pyrrolidine
Alternate Name(s) bis(3,5-bis(trifluoromethyl)phenyl)((2S,4S)-4-(dimethylamino)pyrrolidin-2-yl)methanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H20F12N2O
InChI InChI=1S/C23H20F12N2O/c1-37(2)17-9-18(36-10-17)19(38,11-3-13(20(24,25)26)7-14(4-11)21(27,28)29)12-5-15(22(30,31)32)8-16(6-12)23(33,34)35/h3-8,17-18,36,38H,9-10H2,1-2H3/t17-,18-/m0/s1
InChIKey YOMHNUYHKIRLFB-ROUUACIJSA-N
Literature Reference DOI 10.1002/cctc.201300097
Molecular Weight 568.407 g/mol
SMILES N1[C@](C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)O)(C[C@](N(C)C)(C1)[H])[H]
SPLASH splash10-0400-6910350000-4641a21ef56968a04c45
Source of Spectrum CCC-5-2246-2246_5
Wiley ID 1787060