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(+)-1-benzyl-3-(3-chloro-2-fluorophenyl)-3-methoxypyrrolidine
SpectraBase Compound ID CPGE4EcfbzJ
InChI InChI=1S/C18H19ClFNO/c1-22-18(15-8-5-9-16(19)17(15)20)10-11-21(13-18)12-14-6-3-2-4-7-14/h2-9H,10-13H2,1H3
InChIKey NDCVHLJCZXOBOP-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 H4pBEzroXhO
Name (+)-1-benzyl-3-(3-chloro-2-fluorophenyl)-3-methoxypyrrolidine
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Formula C18H19ClFNO
InChI InChI=1S/C18H19ClFNO/c1-22-18(15-8-5-9-16(19)17(15)20)10-11-21(13-18)12-14-6-3-2-4-7-14/h2-9H,10-13H2,1H3
InChIKey NDCVHLJCZXOBOP-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 319.807 g/mol
Optical Rotation [a]D = +28.7 (methanol)
SMILES c1(ccccc1)CN1CC(CC1)(OC)c1c(c(ccc1)Cl)F
SPLASH splash10-001l-8911000000-8b9a5f2064325e71c16c
Sample Comments (+)-enantiomer
Source of Spectrum US20110257241A1
Wiley ID 1870431