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3-(3,4-difluorophenyl)-1-(ethyl-d5)-3-methoxypyrrolidine
SpectraBase Compound ID 1WZePAhxTye
InChI InChI=1S/C13H17F2NO/c1-3-16-7-6-13(9-16,17-2)10-4-5-11(14)12(15)8-10/h4-5,8H,3,6-7,9H2,1-2H3/i1D3,3D2
InChIKey ICEIQXTWFCODFC-WNWXXORZSA-N
Mol Weight 246.31 g/mol
Molecular Formula C13H12D5F2NO
Exact Mass 246.159204 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J5mYhydS5DQ
Name 3-(3,4-difluorophenyl)-1-(ethyl-d5)-3-methoxypyrrolidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12D5F2NO
InChI InChI=1S/C13H17F2NO/c1-3-16-7-6-13(9-16,17-2)10-4-5-11(14)12(15)8-10/h4-5,8H,3,6-7,9H2,1-2H3/i1D3,3D2
InChIKey ICEIQXTWFCODFC-WNWXXORZSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 246.312 g/mol
SMILES C1N(CCC1(OC)c1cc(c(cc1)F)F)C(C([D])([D])[D])([D])[D]
SPLASH splash10-005c-9460000000-0e2e701460268d769644
Sample Comments Enantiomer-1
Source of Spectrum US20110257241A1
Wiley ID 1870390