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Azacyclotridecane, propanenitrile deriv.
SpectraBase Compound ID DeTTqsoUIuC
InChI InChI=1S/C19H35N3O/c1-18(16-21-17-20)12-11-15-22-14-10-8-6-4-2-3-5-7-9-13-19(22)23/h18,21H,2-16H2,1H3
InChIKey FBOUMWIBNYUXMP-UHFFFAOYSA-N
Mol Weight 321.5 g/mol
Molecular Formula C19H35N3O
Exact Mass 321.278013 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4O5RbjVsagg
Name Azacyclotridecane, propanenitrile deriv.
Alternate Name(s) Propanenitrile, 3-[methyl[3-(2-oxoazacyclotridec-1-yl)propyl]amino]- 2-Methyl-5-(2-oxoazacyclotridecan-1-yl)pentylcyanamide 7-(2-oxo-1azacyclotridec-1-yl)-4-methyl-azaheptanenitrile
CAS Registry Number 99014-96-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H35N3O
InChI InChI=1S/C19H35N3O/c1-18(16-21-17-20)12-11-15-22-14-10-8-6-4-2-3-5-7-9-13-19(22)23/h18,21H,2-16H2,1H3
InChIKey FBOUMWIBNYUXMP-UHFFFAOYSA-N
Molecular Weight 321.509 g/mol
SMILES N(C#N)CC(CCCN1C(=O)CCCCCCCCCCC1)C
SPLASH splash10-0a4m-9210000000-70a417dad19721f1d34b
Source of Spectrum H-68-758-23
Wiley ID 1321035