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1-Benzyl-3,4,7-trimethylene-6-(p-tolylsulfonyl)azocane
SpectraBase Compound ID Dsq1QAldlyy
InChI InChI=1S/C24H27NO2S/c1-18-10-12-23(13-11-18)28(26,27)24-14-19(2)20(3)15-25(16-21(24)4)17-22-8-6-5-7-9-22/h5-13,24H,2-4,14-17H2,1H3
InChIKey HVIJZKRBYYXHSL-UHFFFAOYSA-N
Mol Weight 393.55 g/mol
Molecular Formula C24H27NO2S
Exact Mass 393.17625 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L6cKZa2nSWM
Name 1-Benzyl-3,4,7-trimethylene-6-(p-tolylsulfonyl)azocane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H27NO2S
InChI InChI=1S/C24H27NO2S/c1-18-10-12-23(13-11-18)28(26,27)24-14-19(2)20(3)15-25(16-21(24)4)17-22-8-6-5-7-9-22/h5-13,24H,2-4,14-17H2,1H3
InChIKey HVIJZKRBYYXHSL-UHFFFAOYSA-N
Molecular Weight 393.545 g/mol
SMILES C1(S(c2ccc(cc2)C)(=O)=O)C(CN(Cc2ccccc2)CC(C(C1)=C)=C)=C
SPLASH splash10-0006-9030000000-31189dc71c900ddcd7f6
Source of Spectrum J-61-5010-20
Synonyms 1-Benzyl-3,4,7-trimethylene-6-tosyl-azocane 1-Benzyl-3,4,7-trimethylidene-6-(4-methylphenyl)sulfonylazocane 3,4,7-trimethylene-6-(4-methylphenyl)sulfonyl-1-(phenylmethyl)azocane 3,4,7-trimethylidene-6-(4-methylphenyl)sulfonyl-1-(phenylmethyl)azocane
Wiley ID 1366328