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(E)-1-[N-Benzyl-N-(5E-7,7-dimethoxyhept-5-enyl)amino]-2-(p-toluenesulfonyl)ethene
SpectraBase Compound ID E23p3xGnafQ
InChI InChI=1S/C25H33NO4S/c1-22-14-16-24(17-15-22)31(27,28)20-19-26(21-23-11-7-6-8-12-23)18-10-5-4-9-13-25(29-2)30-3/h6-9,11-17,19-20,25H,4-5,10,18,21H2,1-3H3/b13-9+,20-19+
InChIKey XWSAKINBXBCBMB-SOVQPLPISA-N
Mol Weight 443.6 g/mol
Molecular Formula C25H33NO4S
Exact Mass 443.21303 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CV6Rm0x755v
Name (E)-1-[N-Benzyl-N-(5E-7,7-dimethoxyhept-5-enyl)amino]-2-(p-toluenesulfonyl)ethene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H33NO4S
InChI InChI=1S/C25H33NO4S/c1-22-14-16-24(17-15-22)31(27,28)20-19-26(21-23-11-7-6-8-12-23)18-10-5-4-9-13-25(29-2)30-3/h6-9,11-17,19-20,25H,4-5,10,18,21H2,1-3H3/b13-9+,20-19+
InChIKey XWSAKINBXBCBMB-SOVQPLPISA-N
Molecular Weight 443.602 g/mol
SMILES C(N(\C=C\S(c1ccc(cc1)C)(=O)=O)CCCC\C=C\C(OC)OC)c1ccccc1
SPLASH splash10-0a4l-8090000000-7c24cf587321bd7a8d12
Source of Spectrum J-73-4635-15
Wiley ID 1711251