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trans-4-(Methoxycarbonyl)-5-phenyl-1-N-tosyl-2-imidazoline
SpectraBase Compound ID IQwc40YLMBm
InChI InChI=1S/C18H18N2O4S/c1-13-8-10-15(11-9-13)25(22,23)20-12-19-16(18(21)24-2)17(20)14-6-4-3-5-7-14/h3-12,16-17H,1-2H3/t16-,17+/m0/s1
InChIKey XNEIKJUGWXHQSU-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 AUiO1h3vVrR
Name trans-4-(Methoxycarbonyl)-5-phenyl-1-N-tosyl-2-imidazoline
Alternate Name(s) Methyl (4S,5R)-1-[(4-methylphenyl)sulfonyl]-5-phenyl-4,5-dihydro-1H-imidazole-4-carboxylate
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Formula C18H18N2O4S
InChI InChI=1S/C18H18N2O4S/c1-13-8-10-15(11-9-13)25(22,23)20-12-19-16(18(21)24-2)17(20)14-6-4-3-5-7-14/h3-12,16-17H,1-2H3/t16-,17+/m0/s1
InChIKey XNEIKJUGWXHQSU-DLBZAZTESA-N
Molecular Weight 358.412 g/mol
SMILES c1(S(N2[C@@]([C@@](C(=O)OC)(N=C2)[H])(c2ccccc2)[H])(=O)=O)ccc(cc1)C
SPLASH splash10-0udl-4290000000-b0835578f7ad052aad05
Source of Spectrum J-62-1802-3
Wiley ID 1346912