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Benethamine
SpectraBase Compound ID 8rPPTTTLbLM
InChI InChI=1S/C16H18N2O4S.C15H17N/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;1-3-7-14(8-4-1)11-12-16-13-15-9-5-2-6-10-15/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);1-10,16H,11-13H2/t11-,12+,14-;/m1./s1
InChIKey JAQPGQYDZJZOIN-LQDWTQKMSA-N
Mol Weight 545.7 g/mol
Molecular Formula C31H35N3O4S
Exact Mass 545.234828 g/mol
Enantiomer InChIKey JAQPGQYDZJZOIN-BMZHGHOISA-N
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