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Propanenitrile, 3-[[3-[[3-(2-oxoazacyclotridec-1-yl)propyl]amino]propyl]amino]-
SpectraBase Compound ID C2jn11r1zfl
InChI InChI=1S/C21H40N4O/c22-14-10-15-23-16-11-17-24-18-12-20-25-19-9-7-5-3-1-2-4-6-8-13-21(25)26/h23-24H,1-13,15-20H2
InChIKey KAWMEZPGVJSWBY-UHFFFAOYSA-N
Mol Weight 364.6 g/mol
Molecular Formula C21H40N4O
Exact Mass 364.320212 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HAkwMEsLWOL
Name Propanenitrile, 3-[[3-[[3-(2-oxoazacyclotridec-1-yl)propyl]amino]propyl]amino]-
CAS Registry Number 67171-91-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H40N4O
InChI InChI=1S/C21H40N4O/c22-14-10-15-23-16-11-17-24-18-12-20-25-19-9-7-5-3-1-2-4-6-8-13-21(25)26/h23-24H,1-13,15-20H2
InChIKey KAWMEZPGVJSWBY-UHFFFAOYSA-N
Molecular Weight 364.578 g/mol
SMILES N(CCCN1C(=O)CCCCCCCCCCC1)CCCNCCC#N
SPLASH splash10-02na-9861000000-99824aa49b83b16eda5b
Source of Spectrum H-61-1351-0
Synonyms 13-(10-Cyano-4,8-diazadecyl)-12-dodecanlactam 3-[(3-{[3-(2-oxoazacyclotridecan-1-yl)propyl]amino}propyl)amino]propanenitrile Azacyclotridecane, propanenitrile deriv.
Wiley ID 1350937