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5-[dideuterio(p-tolylsulfonyl)methyl]-1-isopropyl-pyrrolidin-2-one
SpectraBase Compound ID KEVDiEsbcs9
InChI InChI=1S/C15H21NO3S/c1-11(2)16-13(6-9-15(16)17)10-20(18,19)14-7-4-12(3)5-8-14/h4-5,7-8,11,13H,6,9-10H2,1-3H3/i10D2
InChIKey LAHLTOBHURZIBU-KBMKNGFXSA-N
Mol Weight 297.41 g/mol
Molecular Formula C15H192D2NO3S
Exact Mass 297.136768 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3YipPBWpSS
Name 5-[dideuterio(p-tolylsulfonyl)methyl]-1-isopropyl-pyrrolidin-2-one
Alternate Name(s) 5-[dideuterio(tosyl)methyl]-1-isopropyl-2-pyrrolidone 5-[dideuterio-(4-methylphenyl)sulfonyl-methyl]-1-propan-2-yl-pyrrolidin-2-one 5-[dideuterio-(4-methylphenyl)sulfonylmethyl]-1-propan-2-yl-2-pyrrolidinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H19D2NO3S
InChI InChI=1S/C15H21NO3S/c1-11(2)16-13(6-9-15(16)17)10-20(18,19)14-7-4-12(3)5-8-14/h4-5,7-8,11,13H,6,9-10H2,1-3H3/i10D2
InChIKey LAHLTOBHURZIBU-KBMKNGFXSA-N
Molecular Weight 297.409 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)(C1N(C(=O)CC1)C(C)C)([2D])[2D]
SPLASH splash10-052f-9400000000-91d713061a36a361d227
Source of Spectrum F-54-11266-26
Wiley ID 808958