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N-(2,4,6-Trimethylbenzenesulfonyl)-2-(1-oxononyl)-3-(4-chlorophenyl)aziridine
SpectraBase Compound ID DuDRjzouiSa
InChI InChI=1S/C26H34ClNO3S/c1-5-6-7-8-9-10-11-23(29)25-24(21-12-14-22(27)15-13-21)28(25)32(30,31)26-19(3)16-18(2)17-20(26)4/h12-17,24-25H,5-11H2,1-4H3
InChIKey XFSXYDJJJYKJNO-UHFFFAOYSA-N
Mol Weight 476.1 g/mol
Molecular Formula C26H34ClNO3S
Exact Mass 475.194793 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Li54kGVmIZW
Name N-(2,4,6-Trimethylbenzenesulfonyl)-2-(1-oxononyl)-3-(4-chlorophenyl)aziridine
Comments Less than 3 mono-isotopic peaks
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Formula C26H34ClNO3S
InChI InChI=1S/C26H34ClNO3S/c1-5-6-7-8-9-10-11-23(29)25-24(21-12-14-22(27)15-13-21)28(25)32(30,31)26-19(3)16-18(2)17-20(26)4/h12-17,24-25H,5-11H2,1-4H3
InChIKey XFSXYDJJJYKJNO-UHFFFAOYSA-N
Molecular Weight 476.075 g/mol
SMILES c1(S(N2C(C(=O)CCCCCCCC)C2c2ccc(cc2)Cl)(=O)=O)c(cc(cc1C)C)C
SPLASH splash10-0006-0090000000-5f5f5dd05f76e8601fb4
Source of Spectrum J-64-3188-4
Synonyms 1-[3-(4-chlorophenyl)-1-(mesitylsulfonyl)-2-aziridinyl]-1-nonanone
Wiley ID 1530001