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N-(2,4,6-Trimethylbenzenesulfonyl)-2-(1-oxononyl)-3-(4-methylphenyl)aziridine
SpectraBase Compound ID JHQBm9CAGff
InChI InChI=1S/C27H37NO3S/c1-6-7-8-9-10-11-12-24(29)26-25(23-15-13-19(2)14-16-23)28(26)32(30,31)27-21(4)17-20(3)18-22(27)5/h13-18,25-26H,6-12H2,1-5H3
InChIKey IXFIONQAEIKZJW-UHFFFAOYSA-N
Mol Weight 455.7 g/mol
Molecular Formula C27H37NO3S
Exact Mass 455.249415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J8dKI5wtC2T
Name N-(2,4,6-Trimethylbenzenesulfonyl)-2-(1-oxononyl)-3-(4-methylphenyl)aziridine
Alternate Name(s) 1-[1-(mesitylsulfonyl)-3-(4-methylphenyl)-2-aziridinyl]-1-nonanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H37NO3S
InChI InChI=1S/C27H37NO3S/c1-6-7-8-9-10-11-12-24(29)26-25(23-15-13-19(2)14-16-23)28(26)32(30,31)27-21(4)17-20(3)18-22(27)5/h13-18,25-26H,6-12H2,1-5H3
InChIKey IXFIONQAEIKZJW-UHFFFAOYSA-N
Molecular Weight 455.657 g/mol
SMILES C1(N(C1c1ccc(cc1)C)S(=O)(=O)c1c(cc(cc1C)C)C)C(CCCCCCCC)=O
SPLASH splash10-00di-0090100000-8f66cb9e2a370d5b0918
Source of Spectrum J-64-3188-4
Wiley ID 1530002