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(E)- ethyl 4-m-tolyl-2-(1-tosyl-4-vinyl-2,5-dihydro-1H-pyrrol-3-yl)but-3-enoate
SpectraBase Compound ID HeEcTloBrmI
InChI InChI=1S/C26H29NO4S/c1-5-22-17-27(32(29,30)23-13-10-19(3)11-14-23)18-25(22)24(26(28)31-6-2)15-12-21-9-7-8-20(4)16-21/h5,7-16,24H,1,6,17-18H2,2-4H3/b15-12+
InChIKey IXRCWFQGRWCYII-NTCAYCPXSA-N
Mol Weight 451.58 g/mol
Molecular Formula C26H29NO4S
Exact Mass 451.18173 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IlDtyThg7VH
Name (E)- ethyl 4-m-tolyl-2-(1-tosyl-4-vinyl-2,5-dihydro-1H-pyrrol-3-yl)but-3-enoate
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Formula C26H29NO4S
InChI InChI=1S/C26H29NO4S/c1-5-22-17-27(32(29,30)23-13-10-19(3)11-14-23)18-25(22)24(26(28)31-6-2)15-12-21-9-7-8-20(4)16-21/h5,7-16,24H,1,6,17-18H2,2-4H3/b15-12+
InChIKey IXRCWFQGRWCYII-NTCAYCPXSA-N
Literature Reference DOI 10.1021/ol101455c
Molecular Weight 451.581 g/mol
SMILES C1N(CC(C=C)=C1C(\C=C\c1cc(ccc1)C)C(=O)OCC)S(=O)(=O)c1ccc(cc1)C
SPLASH splash10-052f-9840000000-50c7b75a20a14dab6edd
Source of Spectrum A1-12-4462/SMS37-(E)_3f
Synonyms (E)-ethyl 4-(m-tolyl)-2-(1-tosyl-4-vinyl-2,5-dihydro-1H-pyrrol-3-yl)but-3-enoate
Wiley ID 1752418