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trans-4-(Methoxycarbonyl)-5-(4-nitrophenyl)-1-N-tosyl-2-imidazoline
SpectraBase Compound ID AKnl9rsgwdm
InChI InChI=1S/C18H17N3O6S/c1-12-3-9-15(10-4-12)28(25,26)20-11-19-16(18(22)27-2)17(20)13-5-7-14(8-6-13)21(23)24/h3-11,16-17H,1-2H3/t16-,17+/m0/s1
InChIKey IBHYILZBSHVXOF-DLBZAZTESA-N
Mol Weight 403.41 g/mol
Molecular Formula C18H17N3O6S
Exact Mass 403.083806 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IvMntb9YoZ2
Name trans-4-(Methoxycarbonyl)-5-(4-nitrophenyl)-1-N-tosyl-2-imidazoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17N3O6S
InChI InChI=1S/C18H17N3O6S/c1-12-3-9-15(10-4-12)28(25,26)20-11-19-16(18(22)27-2)17(20)13-5-7-14(8-6-13)21(23)24/h3-11,16-17H,1-2H3/t16-,17+/m0/s1
InChIKey IBHYILZBSHVXOF-DLBZAZTESA-N
Molecular Weight 403.409 g/mol
SMILES c1(S(N2[C@@]([C@@](C(=O)OC)(N=C2)[H])(c2ccc(N(=O)=O)cc2)[H])(=O)=O)ccc(cc1)C
SPLASH splash10-0007-9451000000-7ebff94232b61740d7b7
Source of Spectrum J-62-1802-3
Synonyms Methyl (4S,5R)-1-[(4-methylphenyl)sulfonyl]-5-(4-nitrophenyl)-4,5-dihydro-1H-imidazole-4-carboxylate
Wiley ID 1370802