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N-(2,4,6-Trimethylbenzenesulfonyl)-2-(2,2-dimethyl-1-oxopropyl)-3-(4-methylphenyl)aziridine
SpectraBase Compound ID Ehg73ID3eTc
InChI InChI=1S/C23H29NO3S/c1-14-8-10-18(11-9-14)19-20(22(25)23(5,6)7)24(19)28(26,27)21-16(3)12-15(2)13-17(21)4/h8-13,19-20H,1-7H3
InChIKey HJOVEPDRCIUCSA-UHFFFAOYSA-N
Mol Weight 399.55 g/mol
Molecular Formula C23H29NO3S
Exact Mass 399.186815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CocYkk2uzFX
Name N-(2,4,6-Trimethylbenzenesulfonyl)-2-(2,2-dimethyl-1-oxopropyl)-3-(4-methylphenyl)aziridine
Alternate Name(s) 1-[1-(mesitylsulfonyl)-3-(4-methylphenyl)-2-aziridinyl]-2,2-dimethyl-1-propanone
Comments Less than 3 mono-isotopic peaks
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Formula C23H29NO3S
InChI InChI=1S/C23H29NO3S/c1-14-8-10-18(11-9-14)19-20(22(25)23(5,6)7)24(19)28(26,27)21-16(3)12-15(2)13-17(21)4/h8-13,19-20H,1-7H3
InChIKey HJOVEPDRCIUCSA-UHFFFAOYSA-N
Molecular Weight 399.549 g/mol
SMILES C1(N(C1c1ccc(cc1)C)S(=O)(=O)c1c(cc(cc1C)C)C)C(C(C)(C)C)=O
SPLASH splash10-014i-0090000000-13b6fd7111c8948b3e2a
Source of Spectrum J-64-3188-4
Wiley ID 1529995