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(2E,5Z)-N-Benzyl-3-(p-toluenesulfonyl)azacyclonona-2,5-diene
SpectraBase Compound ID C4R7TlhPiI3
InChI InChI=1S/C22H25NO2S/c1-19-12-14-21(15-13-19)26(24,25)22-11-7-2-3-8-16-23(18-22)17-20-9-5-4-6-10-20/h2,4-7,9-10,12-15,18H,3,8,11,16-17H2,1H3/b7-2-,22-18+
InChIKey AZVRKMZMMACJHE-UCOTYYODSA-N
Mol Weight 367.51 g/mol
Molecular Formula C22H25NO2S
Exact Mass 367.1606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JfgSuKKL4js
Name (2E,5Z)-N-Benzyl-3-(p-toluenesulfonyl)azacyclonona-2,5-diene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H25NO2S
InChI InChI=1S/C22H25NO2S/c1-19-12-14-21(15-13-19)26(24,25)22-11-7-2-3-8-16-23(18-22)17-20-9-5-4-6-10-20/h2,4-7,9-10,12-15,18H,3,8,11,16-17H2,1H3/b7-2-,22-18+
InChIKey AZVRKMZMMACJHE-UCOTYYODSA-N
Molecular Weight 367.507 g/mol
SMILES C(N1\C=C/(S(c2ccc(cc2)C)(=O)=O)C\C=C/CCC1)c1ccccc1
SPLASH splash10-0006-9020000000-0a2b60634d734b4b9d9e
Source of Spectrum J-73-4635-7a
Synonyms (5Z,8E)-1-benzyl-8-(4-methylphenyl)sulfonyl-2,3,4,7-tetrahydroazonine (5Z,8E)-1-benzyl-8-(p-tolylsulfonyl)-2,3,4,7-tetrahydroazonine (5Z,8E)-8-(4-methylphenyl)sulfonyl-1-(phenylmethyl)-2,3,4,7-tetrahydroazonine
Wiley ID 1668255