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(+)-1-benzyl-3-(3,5-difluorophenyl)-3-methoxypyrrolidine
SpectraBase Compound ID 76ePBQDMGqa
InChI InChI=1S/C18H19F2NO/c1-22-18(15-9-16(19)11-17(20)10-15)7-8-21(13-18)12-14-5-3-2-4-6-14/h2-6,9-11H,7-8,12-13H2,1H3
InChIKey WLTJRCZWCXTEJX-UHFFFAOYSA-N
Mol Weight 303.35 g/mol
Molecular Formula C18H19F2NO
Exact Mass 303.143471 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GIzJZgSX5kL
Name (+)-1-benzyl-3-(3,5-difluorophenyl)-3-methoxypyrrolidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19F2NO
InChI InChI=1S/C18H19F2NO/c1-22-18(15-9-16(19)11-17(20)10-15)7-8-21(13-18)12-14-5-3-2-4-6-14/h2-6,9-11H,7-8,12-13H2,1H3
InChIKey WLTJRCZWCXTEJX-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 303.353 g/mol
Optical Rotation [a]D = +24.9 (methanol)
SMILES c1(ccccc1)CN1CC(CC1)(OC)c1cc(cc(c1)F)F
SPLASH splash10-000x-9400000000-ace863680d1130ba32c8
Sample Comments (+)-enantiomer
Source of Spectrum US20110257241A1
Wiley ID 1870437