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Ethyl 6-phenyl-2-(1-tosyl-4-vinyl-2,5-dihydro-1H-pyrrol-3-yl)hex-3-enoate
SpectraBase Compound ID 9ZXY6zlNCGe
InChI InChI=1S/C27H31NO4S/c1-4-23-19-28(33(30,31)24-17-15-21(3)16-18-24)20-26(23)25(27(29)32-5-2)14-10-9-13-22-11-7-6-8-12-22/h4,6-8,10-12,14-18,25H,1,5,9,13,19-20H2,2-3H3/b14-10+
InChIKey SJKPEVSBIBKLAU-GXDHUFHOSA-N
Mol Weight 465.61 g/mol
Molecular Formula C27H31NO4S
Exact Mass 465.19738 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3VBGmSxnYex
Name Ethyl 6-phenyl-2-(1-tosyl-4-vinyl-2,5-dihydro-1H-pyrrol-3-yl)hex-3-enoate
Alternate Name(s) (E)-ethyl 6-phenyl-2-(1-tosyl-4-vinyl-2,5-dihydro-1H-pyrrol-3-yl)hex-3-enoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H31NO4S
InChI InChI=1S/C27H31NO4S/c1-4-23-19-28(33(30,31)24-17-15-21(3)16-18-24)20-26(23)25(27(29)32-5-2)14-10-9-13-22-11-7-6-8-12-22/h4,6-8,10-12,14-18,25H,1,5,9,13,19-20H2,2-3H3/b14-10+
InChIKey SJKPEVSBIBKLAU-GXDHUFHOSA-N
Literature Reference DOI 10.1021/ol101455c
Molecular Weight 465.608 g/mol
SMILES C1N(CC(C=C)=C1C(\C=C\CCc1ccccc1)C(=O)OCC)S(=O)(c1ccc(cc1)C)=O
SPLASH splash10-0006-9231100000-4f197311dc07f8092313
Source of Spectrum A1-12-4462/SMS48-3k
Wiley ID 1752439