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(+)-1-benzyl-3-(3,4-difluorophenyl)-3-methoxypyrrolidine
SpectraBase Compound ID 5kcydp9Hwud
InChI InChI=1S/C18H19F2NO/c1-22-18(15-7-8-16(19)17(20)11-15)9-10-21(13-18)12-14-5-3-2-4-6-14/h2-8,11H,9-10,12-13H2,1H3
InChIKey AIJRGZIDAWQADT-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 D6DjDOvA4ny
Name (+)-1-benzyl-3-(3,4-difluorophenyl)-3-methoxypyrrolidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19F2NO
InChI InChI=1S/C18H19F2NO/c1-22-18(15-7-8-16(19)17(20)11-15)9-10-21(13-18)12-14-5-3-2-4-6-14/h2-8,11H,9-10,12-13H2,1H3
InChIKey AIJRGZIDAWQADT-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 303.353 g/mol
Optical Rotation [a]D = +24.1 (methanol)
SMILES c1(ccccc1)CN1CC(CC1)(OC)c1cc(c(cc1)F)F
SPLASH splash10-000x-9640000000-c4afef96a7b902b9166c
Sample Comments (+)-enantiomer
Source of Spectrum US20110257241A1
Wiley ID 1870442