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(E)-N-Benzyl-3-(p-chlorobenzenesulfonyl)azacyclotetradecane
SpectraBase Compound ID ImT1Hk2Bd3e
InChI InChI=1S/C26H36ClNO2S/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/h8-10,13-14,16-19,26H,1-7,11-12,15,20-22H2
InChIKey WDNBTNYHZLVNLF-UHFFFAOYSA-N
Mol Weight 462.1 g/mol
Molecular Formula C26H36ClNO2S
Exact Mass 461.215528 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4aDahRTNddV
Name (E)-N-Benzyl-3-(p-chlorobenzenesulfonyl)azacyclotetradecane
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Formula C26H36ClNO2S
InChI InChI=1S/C26H36ClNO2S/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/h8-10,13-14,16-19,26H,1-7,11-12,15,20-22H2
InChIKey WDNBTNYHZLVNLF-UHFFFAOYSA-N
Molecular Weight 462.092 g/mol
SMILES C1(S(c2ccc(cc2)Cl)(=O)=O)CN(Cc2ccccc2)CCCCCCCCCCC1
SPLASH splash10-000f-9042000000-d0f1aed10aeb90e44a0a
Source of Spectrum J-73-4637-28b
Wiley ID 1668242