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1,5-Diazacycloheptadecane-1-propanenitrile, 5-[(4-methylphenyl)sulfonyl]-17-oxo-
SpectraBase Compound ID CbwhZE56Sdh
InChI InChI=1S/C25H39N3O3S/c1-23-14-16-24(17-15-23)32(30,31)28-21-10-8-6-4-2-3-5-7-9-13-25(29)27(19-11-18-26)20-12-22-28/h14-17H,2-13,19-22H2,1H3
InChIKey DKDKYGGCPQKQOR-UHFFFAOYSA-N
Mol Weight 461.7 g/mol
Molecular Formula C25H39N3O3S
Exact Mass 461.271213 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID rpEovoCof6
Name 1,5-Diazacycloheptadecane-1-propanenitrile, 5-[(4-methylphenyl)sulfonyl]-17-oxo-
CAS Registry Number 67171-88-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H39N3O3S
InChI InChI=1S/C25H39N3O3S/c1-23-14-16-24(17-15-23)32(30,31)28-21-10-8-6-4-2-3-5-7-9-13-25(29)27(19-11-18-26)20-12-22-28/h14-17H,2-13,19-22H2,1H3
InChIKey DKDKYGGCPQKQOR-UHFFFAOYSA-N
Molecular Weight 461.665 g/mol
SMILES C1N(S(c2ccc(cc2)C)(=O)=O)CCCCCCCCCCCC(N(CC1)CCC#N)=O
SPLASH splash10-01q9-9540000000-d723b93bb808f29c160c
Source of Spectrum H-61-1350-0
Synonyms 17-(2-Cyanoethyl)-13-tosyl-13-aza-16-hexadecanlactam 17-(2-Cyanoethyl)-13-tosyl-13-aza-16-hexadecanolactam 3-{5-[(4-methylphenyl)sulfonyl]-17-oxo-1,5-diazacycloheptadecan-1-yl}propanenitrile
Wiley ID 1390790