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N-(2,4,6-Trimethylbenzenesulfonyl)-2-(1-oxononyl)-3-phenylaziridine
SpectraBase Compound ID nf3faYbjJY
InChI InChI=1S/C26H35NO3S/c1-5-6-7-8-9-13-16-23(28)25-24(22-14-11-10-12-15-22)27(25)31(29,30)26-20(3)17-19(2)18-21(26)4/h10-12,14-15,17-18,24-25H,5-9,13,16H2,1-4H3
InChIKey ICVYGECRGCMSSV-UHFFFAOYSA-N
Mol Weight 441.6 g/mol
Molecular Formula C26H35NO3S
Exact Mass 441.233765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID erwvUoxZUa
Name N-(2,4,6-Trimethylbenzenesulfonyl)-2-(1-oxononyl)-3-phenylaziridine
Alternate Name(s) 1-[1-(mesitylsulfonyl)-3-phenyl-2-aziridinyl]-1-nonanone
Comments Less than 3 mono-isotopic peaks
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Formula C26H35NO3S
InChI InChI=1S/C26H35NO3S/c1-5-6-7-8-9-13-16-23(28)25-24(22-14-11-10-12-15-22)27(25)31(29,30)26-20(3)17-19(2)18-21(26)4/h10-12,14-15,17-18,24-25H,5-9,13,16H2,1-4H3
InChIKey ICVYGECRGCMSSV-UHFFFAOYSA-N
Molecular Weight 441.630 g/mol
SMILES C1(N(C1c1ccccc1)S(=O)(=O)c1c(cc(cc1C)C)C)C(CCCCCCCC)=O
SPLASH splash10-0a4i-0090000000-39427fbdccc80fe6c9b5
Source of Spectrum J-64-3186-4
Wiley ID 1530028