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1-Phenyl-2-(2,2,5,5-tetradeuteriopyrrolidin-1-yl)pentan-1-one
SpectraBase Compound ID K1uzuLaVfCT
InChI InChI=1S/C15H21NO/c1-2-8-14(16-11-6-7-12-16)15(17)13-9-4-3-5-10-13/h3-5,9-10,14H,2,6-8,11-12H2,1H3/i11D2,12D2
InChIKey YDIIDRWHPFMLGR-AREBVXNXSA-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 B0hJVw02elE
Name 1-Phenyl-2-(2,2,5,5-tetradeuteriopyrrolidin-1-yl)pentan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H17D4NO
InChI InChI=1S/C15H21NO/c1-2-8-14(16-11-6-7-12-16)15(17)13-9-4-3-5-10-13/h3-5,9-10,14H,2,6-8,11-12H2,1H3/i11D2,12D2
InChIKey YDIIDRWHPFMLGR-AREBVXNXSA-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])CCC
SPLASH splash10-001i-4900000000-0e83174af4ca4e91426c
Source of Spectrum RCM-30-1717-1717_1
Synonyms 1-Phenyl-2-(pyrrolidin-1-yl-2,2,5,5-d4)pentan-1-one
Wiley ID 1813798