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1,5-Diazacycloheptadecan-6-one, 1-[(4-methylphenyl)sulfonyl]-
SpectraBase Compound ID FfnDmacYzlE
InChI InChI=1S/C22H36N2O3S/c1-20-13-15-21(16-14-20)28(26,27)24-18-10-8-6-4-2-3-5-7-9-12-22(25)23-17-11-19-24/h13-16H,2-12,17-19H2,1H3,(H,23,25)
InChIKey VGYVBSVRZPDXAT-UHFFFAOYSA-N
Mol Weight 408.6 g/mol
Molecular Formula C22H36N2O3S
Exact Mass 408.244664 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5TMwXQbuxfY
Name 1,5-Diazacycloheptadecan-6-one, 1-[(4-methylphenyl)sulfonyl]-
CAS Registry Number 67171-87-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H36N2O3S
InChI InChI=1S/C22H36N2O3S/c1-20-13-15-21(16-14-20)28(26,27)24-18-10-8-6-4-2-3-5-7-9-12-22(25)23-17-11-19-24/h13-16H,2-12,17-19H2,1H3,(H,23,25)
InChIKey VGYVBSVRZPDXAT-UHFFFAOYSA-N
Molecular Weight 408.601 g/mol
SMILES N1CCCN(CCCCCCCCCCCC1=O)S(c1ccc(cc1)C)(=O)=O
SPLASH splash10-0udi-3090000000-25b28ded73211af1f692
Source of Spectrum H-61-1350-0
Synonyms 1-[(4-methylphenyl)sulfonyl]-1,5-diazacycloheptadecan-6-one 13-Tosyl-13-aza-16-hexadecanlactam
Wiley ID 1372946