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(E)-N-Benzyl-3-(p-chlorobenzenesulfonyl)azacyclotetradec-2-ene
SpectraBase Compound ID HHMT9aDyweX
InChI InChI=1S/C26H34ClNO2S/c27-24-16-18-25(19-17-24)31(29,30)26-15-11-6-4-2-1-3-5-7-12-20-28(22-26)21-23-13-9-8-10-14-23/h8-10,13-14,16-19,22H,1-7,11-12,15,20-21H2/b26-22+
InChIKey KDQAXTHSLYLYOZ-XTCLZLMSSA-N
Mol Weight 460.1 g/mol
Molecular Formula C26H34ClNO2S
Exact Mass 459.199878 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4zFBg6htUj4
Name (E)-N-Benzyl-3-(p-chlorobenzenesulfonyl)azacyclotetradec-2-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H34ClNO2S
InChI InChI=1S/C26H34ClNO2S/c27-24-16-18-25(19-17-24)31(29,30)26-15-11-6-4-2-1-3-5-7-12-20-28(22-26)21-23-13-9-8-10-14-23/h8-10,13-14,16-19,22H,1-7,11-12,15,20-21H2/b26-22+
InChIKey KDQAXTHSLYLYOZ-XTCLZLMSSA-N
Molecular Weight 460.076 g/mol
SMILES C(N1\C=C/(S(c2ccc(cc2)Cl)(=O)=O)CCCCCCCCCCC1)c1ccccc1
SPLASH splash10-000x-9380000000-3818966d0be12d59defb
Source of Spectrum J-73-4637-c
Wiley ID 1668243