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Methyl 2,5-Dihydro-2-(2-methyl-1,3-dithiane-2-yl)-1-tosylpyrrole-3-carboxylate
SpectraBase Compound ID DYY819tkUIS
InChI InChI=1S/C18H23NO4S3/c1-13-5-7-14(8-6-13)26(21,22)19-10-9-15(17(20)23-3)16(19)18(2)24-11-4-12-25-18/h5-9,16H,4,10-12H2,1-3H3
InChIKey MBXVUGIQGHFSCL-UHFFFAOYSA-N
Mol Weight 413.57 g/mol
Molecular Formula C18H23NO4S3
Exact Mass 413.078922 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1sPz4lYVj33
Name Methyl 2,5-Dihydro-2-(2-methyl-1,3-dithiane-2-yl)-1-tosylpyrrole-3-carboxylate
Alternate Name(s) Methyl 2-(2-methyl-1,3-dithian-2-yl)-1-[(4-methylphenyl)sulfonyl]-2,5-dihydro-1H-pyrrole-3-carboxylate 2-(2-Methyl-1,3-dithian-2-yl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylic acid methyl ester Methyl 2-(2-methyl-1,3-dithian-2-yl)-1-(p-tolylsulfonyl)-2,5-dihydropyrrole-3-carboxylate Methyl 2-(2-methyl-1,3-dithian-2-yl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylate
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Formula C18H23NO4S3
InChI InChI=1S/C18H23NO4S3/c1-13-5-7-14(8-6-13)26(21,22)19-10-9-15(17(20)23-3)16(19)18(2)24-11-4-12-25-18/h5-9,16H,4,10-12H2,1-3H3
InChIKey MBXVUGIQGHFSCL-UHFFFAOYSA-N
Molecular Weight 413.565 g/mol
SMILES C1(N(S(c2ccc(cc2)C)(=O)=O)CC=C1C(=O)OC)C1(SCCCS1)C
SPLASH splash10-001i-0900000000-fa8d21f2d2d31fccf4a8
Source of Spectrum J-63-5040-3
Wiley ID 1374955