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DIMETHYL-(5R*,6R*,7R*)-2-METHYLAMINO-5-(4-METHOXYPHENYL)-4,5,6,7-TETRAHYDROBENZOTHIAZOLE-6,7-DICARBOXYLATE
SpectraBase Compound ID 2oKIv9InYJm
InChI InChI=1S/C19H22N2O5S/c1-20-19-21-13-9-12(10-5-7-11(24-2)8-6-10)14(17(22)25-3)15(16(13)27-19)18(23)26-4/h5-8,12,14-15H,9H2,1-4H3,(H,20,21)/t12-,14+,15+/m0/s1
InChIKey IVFXWGHAPGGDBJ-NWANDNLSSA-N
Mol Weight 390.45 g/mol
Molecular Formula C19H22N2O5S
Exact Mass 390.124943 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J5aTOUXHDwB
Name Dimethyl (5R*,6R*,7S*)-2-Methylamino-5-(4-methoxyphenyl)-4,5,6,7-tetrahydrobenzothiazole-6,7-dicarboxylate
Alternate Name(s) (5R,6R,7S)-dimethyl 5-(4-methoxyphenyl)-2-(methylamino)-4,5,6,7-tetrahydrobenzo[d]thiazole-6,7-dicarboxylate Dimethyl (5R,6R,7S)-5-(4-methoxyphenyl)-2-(methylamino)-4,5,6,7-tetrahydro-1,3-benzothiazole-6,7-dicarboxylate
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Formula C19H22N2O5S
InChI InChI=1S/C19H22N2O5S/c1-20-19-21-13-9-12(10-5-7-11(24-2)8-6-10)14(17(22)25-3)15(16(13)27-19)18(23)26-4/h5-8,12,14-15H,9H2,1-4H3,(H,20,21)/t12-,14+,15+/m0/s1
InChIKey IVFXWGHAPGGDBJ-NWANDNLSSA-N
Molecular Weight 390.454 g/mol
SMILES N(c1sc2[C@@]([C@](C(=O)OC)([C@@](Cc2n1)(c1ccc(cc1)OC)[H])[H])(C(=O)OC)[H])C
SPLASH splash10-0592-6934000000-aec3740d34d2b0526474
Source of Spectrum U1-2013-486-7c''
Wiley ID 1735719