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trans-4-(Methoxycarbonyl)-5-(4-chlorophenyl)-1-N-tosyl-2-imidazoline
SpectraBase Compound ID 5SZ7RsqNeGf
InChI InChI=1S/C18H17ClN2O4S/c1-12-3-9-15(10-4-12)26(23,24)21-11-20-16(18(22)25-2)17(21)13-5-7-14(19)8-6-13/h3-11,16-17H,1-2H3/t16-,17+/m0/s1
InChIKey QKMSOYYUDIMMFO-DLBZAZTESA-N
Mol Weight 392.86 g/mol
Molecular Formula C18H17ClN2O4S
Exact Mass 392.059756 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IbBSncqXpna
Name trans-4-(Methoxycarbonyl)-5-(4-chlorophenyl)-1-N-tosyl-2-imidazoline
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Formula C18H17ClN2O4S
InChI InChI=1S/C18H17ClN2O4S/c1-12-3-9-15(10-4-12)26(23,24)21-11-20-16(18(22)25-2)17(21)13-5-7-14(19)8-6-13/h3-11,16-17H,1-2H3/t16-,17+/m0/s1
InChIKey QKMSOYYUDIMMFO-DLBZAZTESA-N
Molecular Weight 392.857 g/mol
SMILES c1(S(N2[C@@]([C@@](C(=O)OC)(N=C2)[H])(c2ccc(cc2)Cl)[H])(=O)=O)ccc(cc1)C
SPLASH splash10-000l-6391000000-6a92b308e0826da807e1
Source of Spectrum J-62-1802-3
Synonyms Methyl (4S,5R)-5-(4-chlorophenyl)-1-[(4-methylphenyl)sulfonyl]-4,5-dihydro-1H-imidazole-4-carboxylate
Wiley ID 1365643