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3,4,4,4-tetradeuterio-1-phenyl-2-pyrrolidin-1-yl-3-(trideuteriomethyl)butan-1-one
SpectraBase Compound ID 45KPXNuqfcg
InChI InChI=1S/C15H21NO/c1-12(2)14(16-10-6-7-11-16)15(17)13-8-4-3-5-9-13/h3-5,8-9,12,14H,6-7,10-11H2,1-2H3/i1D3,2D3,12D
InChIKey SLPVYNPNJIYANF-QLWPOVNFSA-N
Mol Weight 238.38 g/mol
Molecular Formula C15H14D7NO
Exact Mass 238.206252 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 17I8jOfv3Dx
Name 3,4,4,4-tetradeuterio-1-phenyl-2-pyrrolidin-1-yl-3-(trideuteriomethyl)butan-1-one
Alternate Name(s) 3-(methyl-d3)-1-phenyl-2-(pyrrolidin-1-yl)butan-1-one-3,4,4,4-d4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H14D7NO
InChI InChI=1S/C15H21NO/c1-12(2)14(16-10-6-7-11-16)15(17)13-8-4-3-5-9-13/h3-5,8-9,12,14H,6-7,10-11H2,1-2H3/i1D3,2D3,12D
InChIKey SLPVYNPNJIYANF-QLWPOVNFSA-N
Literature Reference DOI 10.1002/rcm.7603
Molecular Weight 238.382 g/mol
SMILES c1cc(ccc1)C(=O)C(C(C([D])([D])[D])(C([D])([D])[D])[D])N1CCCC1
SPLASH splash10-001i-3900000000-aa05799134a2f36e0fa1
Source of Spectrum RCM-30-1719-1719_1
Wiley ID 1813800