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trans-4-(Methoxycarbonyl)-5-(4-methylphenyl)-1-N-benzenesulfonyl-2-imidazoline
SpectraBase Compound ID 14kamLjrteC
InChI InChI=1S/C18H18N2O4S/c1-13-8-10-14(11-9-13)17-16(18(21)24-2)19-12-20(17)25(22,23)15-6-4-3-5-7-15/h3-12,16-17H,1-2H3/t16-,17+/m0/s1
InChIKey JNTCPVFABSCTRC-DLBZAZTESA-N
Mol Weight 358.41 g/mol
Molecular Formula C18H18N2O4S
Exact Mass 358.098728 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1DjUK00N62Y
Name trans-4-(Methoxycarbonyl)-5-(4-methylphenyl)-1-N-benzenesulfonyl-2-imidazoline
Alternate Name(s) Methyl (4S,5R)-5-(4-methylphenyl)-1-(phenylsulfonyl)-4,5-dihydro-1H-imidazole-4-carboxylate
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Formula C18H18N2O4S
InChI InChI=1S/C18H18N2O4S/c1-13-8-10-14(11-9-13)17-16(18(21)24-2)19-12-20(17)25(22,23)15-6-4-3-5-7-15/h3-12,16-17H,1-2H3/t16-,17+/m0/s1
InChIKey JNTCPVFABSCTRC-DLBZAZTESA-N
Molecular Weight 358.412 g/mol
SMILES c1(S(N2[C@@]([C@@](C(=O)OC)(N=C2)[H])(c2ccc(cc2)C)[H])(=O)=O)ccccc1
SPLASH splash10-014i-2090000000-3d33cb56967269651cde
Source of Spectrum J-62-1802-3
Wiley ID 1346913