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N-Tosyl-2-ethoxycarbonyl-3-(p-nitrophenyl)aziridine
SpectraBase Compound ID 4xOSGVvncpa
InChI InChI=1S/C18H18N2O6S/c1-3-26-18(21)17-16(13-6-8-14(9-7-13)20(22)23)19(17)27(24,25)15-10-4-12(2)5-11-15/h4-11,16-17H,3H2,1-2H3
InChIKey NPGZUEIGQSJGNB-UHFFFAOYSA-N
Mol Weight 390.41 g/mol
Molecular Formula C18H18N2O6S
Exact Mass 390.088557 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DaV8JAZqUfu
Name N-Tosyl-2-ethoxycarbonyl-3-(p-nitrophenyl)aziridine
Alternate Name(s) ethyl 1-[(4-methylphenyl)sulfonyl]-3-(4-nitrophenyl)-2-aziridinecarboxylate 1-(4-methylphenyl)sulfonyl-3-(4-nitrophenyl)-2-aziridinecarboxylic acid ethyl ester ethyl 3-(4-nitrophenyl)-1-(p-tolylsulfonyl)aziridine-2-carboxylate ethyl 1-(4-methylphenyl)sulfonyl-3-(4-nitrophenyl)aziridine-2-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C18H18N2O6S
InChI InChI=1S/C18H18N2O6S/c1-3-26-18(21)17-16(13-6-8-14(9-7-13)20(22)23)19(17)27(24,25)15-10-4-12(2)5-11-15/h4-11,16-17H,3H2,1-2H3
InChIKey NPGZUEIGQSJGNB-UHFFFAOYSA-N
Molecular Weight 390.410 g/mol
SMILES C1(N(C1c1ccc(cc1)N(=O)=O)S(=O)(=O)c1ccc(C)cc1)C(=O)OCC
SPLASH splash10-000i-0090000000-6d5d462d8cd7b75882e3
Source of Spectrum K-2001-1642-0
Wiley ID 1579258