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(E)-ethyl 4-(4-bromophenyl)-2-(1-tosyl-4-vinyl-2,5-dihydro-1H-pyrrol-3-yl)but-3-enoate
SpectraBase Compound ID LMM5rQuVHi9
InChI InChI=1S/C25H26BrNO4S/c1-4-20-16-27(32(29,30)22-13-6-18(3)7-14-22)17-24(20)23(25(28)31-5-2)15-10-19-8-11-21(26)12-9-19/h4,6-15,23H,1,5,16-17H2,2-3H3/b15-10+
InChIKey CVWGECXBIGQLHJ-XNTDXEJSSA-N
Mol Weight 516.45 g/mol
Molecular Formula C25H26BrNO4S
Exact Mass 515.076592 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3k0gltzremi
Name (E)-ethyl 4-(4-bromophenyl)-2-(1-tosyl-4-vinyl-2,5-dihydro-1H-pyrrol-3-yl)but-3-enoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H26BrNO4S
InChI InChI=1S/C25H26BrNO4S/c1-4-20-16-27(32(29,30)22-13-6-18(3)7-14-22)17-24(20)23(25(28)31-5-2)15-10-19-8-11-21(26)12-9-19/h4,6-15,23H,1,5,16-17H2,2-3H3/b15-10+
InChIKey CVWGECXBIGQLHJ-XNTDXEJSSA-N
Literature Reference DOI 10.1021/ol101455c
Molecular Weight 516.450 g/mol
SMILES C1N(CC(C=C)=C1C(\C=C\c1ccc(cc1)Br)C(=O)OCC)S(=O)(=O)c1ccc(cc1)C
SPLASH splash10-0006-9260220000-b8cca38b9e31e09670f0
Source of Spectrum A1-12-4462/SMS43-(E)_3h
Wiley ID 1752420