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2,5-Dimethyl-6-oxo-8-phenyl-1-thia-2,5,9-triazacyclononan-1,1-dioxide
SpectraBase Compound ID CMEzXWdAoP2
InChI InChI=1S/C13H19N3O3S/c1-15-8-9-16(2)20(18,19)14-12(10-13(15)17)11-6-4-3-5-7-11/h3-7,12,14H,8-10H2,1-2H3
InChIKey WDIBRDJOCGWKNU-UHFFFAOYSA-N
Mol Weight 297.37 g/mol
Molecular Formula C13H19N3O3S
Exact Mass 297.114713 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FQLRnNvTQXJ
Name 2,5-Dimethyl-6-oxo-8-phenyl-1-thia-2,5,9-triazacyclononan-1,1-dioxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H19N3O3S
InChI InChI=1S/C13H19N3O3S/c1-15-8-9-16(2)20(18,19)14-12(10-13(15)17)11-6-4-3-5-7-11/h3-7,12,14H,8-10H2,1-2H3
InChIKey WDIBRDJOCGWKNU-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cber.19751080631
Molecular Weight 297.373 g/mol
SMILES N1S(N(CCN(C(CC1c1ccccc1)=O)C)C)(=O)=O
SPLASH splash10-0kbo-8900000000-891908a0c72b4a01e201
Source of Spectrum K-108-2148-27
Synonyms 2,5-Dimethyl-8-phenyl-1,2,5,9-thiatriazonan-6-one 1,1-dioxide
Wiley ID 1793975