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N-Benzyl-3-(p-chlorobenzenesulfonyl)azacyclotridecane
SpectraBase Compound ID Lx3KLJM7OYR
InChI InChI=1S/C25H34ClNO2S/c26-23-15-17-24(18-16-23)30(28,29)25-14-10-5-3-1-2-4-6-11-19-27(21-25)20-22-12-8-7-9-13-22/h7-9,12-13,15-18,25H,1-6,10-11,14,19-21H2
InChIKey PDQXEAIYEYMKSF-UHFFFAOYSA-N
Mol Weight 448.1 g/mol
Molecular Formula C25H34ClNO2S
Exact Mass 447.199878 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 41w0N6pSyW
Name N-Benzyl-3-(p-chlorobenzenesulfonyl)azacyclotridecane
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H34ClNO2S
InChI InChI=1S/C25H34ClNO2S/c26-23-15-17-24(18-16-23)30(28,29)25-14-10-5-3-1-2-4-6-11-19-27(21-25)20-22-12-8-7-9-13-22/h7-9,12-13,15-18,25H,1-6,10-11,14,19-21H2
InChIKey PDQXEAIYEYMKSF-UHFFFAOYSA-N
Molecular Weight 448.065 g/mol
SMILES C1(S(c2ccc(cc2)Cl)(=O)=O)CN(Cc2ccccc2)CCCCCCCCCC1
SPLASH splash10-0596-9084000000-947e50d8ae3480164b19
Source of Spectrum J-73-4637-28a
Wiley ID 1668244