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3-Methyl-1-phenyl-2-(2,2,5,5-tetradeuteriopyrrolidin-1-yl)butan-1-one
SpectraBase Compound ID AkTjnIzNCaH
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/i10D2,11D2
InChIKey SLPVYNPNJIYANF-MKQHWYKPSA-N
Mol Weight 235.36 g/mol
Molecular Formula C15H17D4NO
Exact Mass 235.187421 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2NarU1s0sFH
Name 3-Methyl-1-phenyl-2-(2,2,5,5-tetradeuteriopyrrolidin-1-yl)butan-1-one
Alternate Name(s) 3-Methyl-1-phenyl-2-(pyrrolidin-1-yl-2,2,5,5-d4)butan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H17D4NO
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/i10D2,11D2
InChIKey SLPVYNPNJIYANF-MKQHWYKPSA-N
Literature Reference DOI 10.1002/rcm.7603
Molecular Weight 235.363 g/mol
SMILES c1cc(ccc1)C(=O)C(N1C(CCC1([D])[D])([D])[D])C(C)C
SPLASH splash10-001i-4900000000-d09124a869bb4533822e
Source of Spectrum RCM-30-1718-1718_1
Wiley ID 1813799