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N-(3-[Acetyl(2-cyanoethyl)amino]propyl)-N-[3-(13-oxoazacyclotridecan-2-yl)propyl]acetamide
SpectraBase Compound ID 2q4Es1GvY3r
InChI InChI=1S/C25H44N4O3/c1-22(30)28(20-13-21-29(23(2)31)19-12-17-26)18-11-15-24-14-9-7-5-3-4-6-8-10-16-25(32)27-24/h24H,3-16,18-21H2,1-2H3,(H,27,32)
InChIKey FNKLXWYDVLJYAU-UHFFFAOYSA-N
Mol Weight 448.7 g/mol
Molecular Formula C25H44N4O3
Exact Mass 448.341341 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LdUt5y1WE3g
Name N-(3-[Acetyl(2-cyanoethyl)amino]propyl)-N-[3-(13-oxoazacyclotridecan-2-yl)propyl]acetamide
Alternate Name(s) 13-(4,8-Diacetyl-10-cyano-4,8-diazadecyl)-12-dodecane lactam 13-(4,8-Diacetyl-10-cyano-4,8-diazadecyl)-12-dodecanolactam N-[3-[2-cyanoethyl(ethanoyl)amino]propyl]-N-[3-(13-oxidanylidene-1-azacyclotridec-2-yl)propyl]ethanamide N-[3-[acetyl(2-cyanoethyl)amino]propyl]-N-[3-(13-keto-azacyclotridec-2-yl)propyl]acetamide N-[3-[acetyl(2-cyanoethyl)amino]propyl]-N-[3-(13-oxo-azacyclotridec-2-yl)propyl]acetamide
CAS Registry Number 75701-27-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H44N4O3
InChI InChI=1S/C25H44N4O3/c1-22(30)28(20-13-21-29(23(2)31)19-12-17-26)18-11-15-24-14-9-7-5-3-4-6-8-10-16-25(32)27-24/h24H,3-16,18-21H2,1-2H3,(H,27,32)
InChIKey FNKLXWYDVLJYAU-UHFFFAOYSA-N
Molecular Weight 448.652 g/mol
SMILES N1C(CCCCCCCCCCC1=O)CCCN(CCCN(CCC#N)C(=O)C)C(=O)C
SPLASH splash10-0zmi-1951000000-d10e17fcaff560102913
Source of Spectrum H-61-1351-0
Wiley ID 1387191