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(+)-1-benzyl-3-(3-chloro-5-fluorophenyl)-3-methoxypyrrolidine
SpectraBase Compound ID HVKmo5mdBNt
InChI InChI=1S/C18H19ClFNO/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 IZMRTNDTLNYYPX-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 JKw0WBA4tgu
Name (+)-1-benzyl-3-(3-chloro-5-fluorophenyl)-3-methoxypyrrolidine
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Formula C18H19ClFNO
InChI InChI=1S/C18H19ClFNO/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 IZMRTNDTLNYYPX-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 319.807 g/mol
Optical Rotation [a]D = +27.3 (methanol)
SMILES c1(ccccc1)CN1CC(CC1)(OC)c1cc(cc(c1)F)Cl
SPLASH splash10-000x-9600000000-9d39a03503c6dd03303d
Sample Comments (+)-enantiomer
Source of Spectrum US20110257241A1
Wiley ID 1870439