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(+)-1-benzyl-3-(3-chloro-4-fluorophenyl)-3-methoxypyrrolidine
SpectraBase Compound ID CSzbmYLS1K
InChI InChI=1S/C18H19ClFNO/c1-22-18(15-7-8-17(20)16(19)11-15)9-10-21(13-18)12-14-5-3-2-4-6-14/h2-8,11H,9-10,12-13H2,1H3
InChIKey DWHQOXYMEWOULU-UHFFFAOYSA-N
Mol Weight 319.81 g/mol
Molecular Formula C18H19ClFNO
Exact Mass 319.11392 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID i7vRyNl8z8
Name (-)-1-benzyl-3-(3-chloro-4-fluorophenyl)-3-methoxypyrrolidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19ClFNO
InChI InChI=1S/C18H19ClFNO/c1-22-18(15-7-8-17(20)16(19)11-15)9-10-21(13-18)12-14-5-3-2-4-6-14/h2-8,11H,9-10,12-13H2,1H3
InChIKey DWHQOXYMEWOULU-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 319.807 g/mol
Optical Rotation [a]D = -29.8 (methanol)
SMILES c1(ccccc1)CN1CC(CC1)(OC)c1cc(c(cc1)F)Cl
SPLASH splash10-000x-9600000000-c4f777be55799311a2a7
Sample Comments (-)-enantiomer
Source of Spectrum US20110257241A1
Wiley ID 1870434