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1-[(2-DODECANOYLOXYETHYLCARBAMOYL)-METHYL]-PYRIDINIUM-CHLORIDE
SpectraBase Compound ID AN8pOI4SyNk
InChI InChI=1S/C21H34N2O3.ClH/c1-2-3-4-5-6-7-8-9-11-14-21(25)26-18-15-22-20(24)19-23-16-12-10-13-17-23;/h10,12-13,16-17H,2-9,11,14-15,18-19H2,1H3;1H
InChIKey HPKFFZSXDWPVLX-UHFFFAOYSA-N
Mol Weight 399.0 g/mol
Molecular Formula C21H35ClN2O3
Exact Mass 398.233621 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4s2VauA5n8k
Name 2-(2-pyridin-1-ium-1-ylethanoylamino)ethyl dodecanoate chloride
Alternate Name(s) 2-[(2-pyridin-1-ium-1-ylacetyl)amino]ethyl dodecanoate chloride Dodecanoic acid 2-[[1-oxo-2-(1-pyridin-1-iumyl)ethyl]amino]ethyl ester chloride Dodecanoic acid 2-[[1-oxo-2-(1-pyridin-1-iumyl)ethyl]amino]ethyl ester;chloride 2-[(2-pyridin-1-ium-1-ylacetyl)amino]ethyl dodecanoate;chloride 2-(2-pyridin-1-ium-1-ylethanoylamino)ethyl dodecanoate;chloride
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Formula C21H35ClN2O3
InChI InChI=1S/C21H34N2O3.ClH/c1-2-3-4-5-6-7-8-9-11-14-21(25)26-18-15-22-20(24)19-23-16-12-10-13-17-23;/h10,12-13,16-17H,2-9,11,14-15,18-19H2,1H3;1H
InChIKey HPKFFZSXDWPVLX-UHFFFAOYSA-N
Molecular Weight 398.975 g/mol
SMILES [Cl-].N(C(C[n+]1ccccc1)=O)CCOC(=O)CCCCCCCCCCC
SPLASH splash10-0fvi-9300000000-1801c8d4972a045be934
Source of Spectrum H-2005-4632-1
Wiley ID 1587928