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1,5,12,16-Tetraazacyclodocosane-6,17-dione, 1,12-bis[(4-methylphenyl)sulfonyl]-
SpectraBase Compound ID AGhA2hMxtYP
InChI InChI=1S/C32H48N4O6S2/c1-27-13-17-29(18-14-27)43(39,40)35-23-7-3-5-11-32(38)34-22-10-26-36(44(41,42)30-19-15-28(2)16-20-30)24-8-4-6-12-31(37)33-21-9-25-35/h13-20H,3-12,21-26H2,1-2H3,(H,33,37)(H,34,38)
InChIKey ZJENIKWADVXZNN-UHFFFAOYSA-N
Mol Weight 648.9 g/mol
Molecular Formula C32H48N4O6S2
Exact Mass 648.301528 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GEXF5RlXTEQ
Name 1,5,12,16-Tetraazacyclodocosane-6,17-dione, 1,12-bis[(4-methylphenyl)sulfonyl]-
CAS Registry Number 67370-93-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H48N4O6S2
InChI InChI=1S/C32H48N4O6S2/c1-27-13-17-29(18-14-27)43(39,40)35-23-7-3-5-11-32(38)34-22-10-26-36(44(41,42)30-19-15-28(2)16-20-30)24-8-4-6-12-31(37)33-21-9-25-35/h13-20H,3-12,21-26H2,1-2H3,(H,33,37)(H,34,38)
InChIKey ZJENIKWADVXZNN-UHFFFAOYSA-N
Molecular Weight 648.878 g/mol
SMILES N1CCCN(CCCCCC(NCCCN(S(c2ccc(cc2)C)(=O)=O)CCCCCC1=O)=O)S(c1ccc(cc1)C)(=O)=O
SPLASH splash10-0006-3300900000-35b816e9d643d188ae46
Source of Spectrum H-61-1059-0
Synonyms 1,12-bis[(4-methylphenyl)sulfonyl]-1,5,12,16-tetraazacyclodocosane-6,17-dione 7,18-Ditosyl-12-oxo-7,11,18-triaza-21-heneicosanlactam
Wiley ID 1412999