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trans-N-tert-Butyl-3-acetyl-4-phenyl-2-pyrrolidone
SpectraBase Compound ID 8iXvW8eBwuC
InChI InChI=1S/C16H21NO2/c1-11(18)14-13(12-8-6-5-7-9-12)10-17(15(14)19)16(2,3)4/h5-9,13-14H,10H2,1-4H3/t13-,14-/m1/s1
InChIKey OVIPYTWJZSVOIM-ZIAGYGMSSA-N
Mol Weight 259.35 g/mol
Molecular Formula C16H21NO2
Exact Mass 259.157229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ETEHilF5sfN
Name trans-N-tert-Butyl-3-acetyl-4-phenyl-2-pyrrolidone
Alternate Name(s) (3S,4S)-3-acetyl-1-tert-butyl-4-phenyl-2-pyrrolidinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21NO2
InChI InChI=1S/C16H21NO2/c1-11(18)14-13(12-8-6-5-7-9-12)10-17(15(14)19)16(2,3)4/h5-9,13-14H,10H2,1-4H3/t13-,14-/m1/s1
InChIKey OVIPYTWJZSVOIM-ZIAGYGMSSA-N
Molecular Weight 259.349 g/mol
SMILES C1(N(C[C@@]([C@]1(C(=O)C)[H])(c1ccccc1)[H])C(C)(C)C)=O
SPLASH splash10-07do-2970000000-572a0d424692e19d64e4
Source of Spectrum C-115-8680-39
Wiley ID 1262888