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Hexadecane-(5,12)-bis-(5'-aminopentanol)-oxalate-dihydrochloride

View entire compound with spectra: 1 MS (GC)

Hexadecane-(5,12)-bis-(5'-aminopentanol)-oxalate-dihydrochloride
SpectraBase Compound ID K2LmzngFj7r
InChI InChI=1S/C26H56N2O2.C2H2O4.2ClH/c1-3-5-17-25(27-21-13-9-15-23-29)19-11-7-8-12-20-26(18-6-4-2)28-22-14-10-16-24-30;3-1(4)2(5)6;;/h25-30H,3-24H2,1-2H3;(H,3,4)(H,5,6);2*1H
InChIKey HQRADHJDOXUFDN-UHFFFAOYSA-N
Mol Weight 591.7 g/mol
Molecular Formula C28H60Cl2N2O6
Exact Mass 590.382843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LeWSzTkrNGH
Name Hexadecane-(5,12)-bis-(5'-aminopentanol)-oxalate-dihydrochloride
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H60Cl2N2O6
InChI InChI=1S/C26H56N2O2.C2H2O4.2ClH/c1-3-5-17-25(27-21-13-9-15-23-29)19-11-7-8-12-20-26(18-6-4-2)28-22-14-10-16-24-30;3-1(4)2(5)6;;/h25-30H,3-24H2,1-2H3;(H,3,4)(H,5,6);2*1H
InChIKey HQRADHJDOXUFDN-UHFFFAOYSA-N
Molecular Weight 591.702 g/mol
SMILES Cl.OC(C(=O)O)=O.N(C(CCCCCCC(NCCCCCO)CCCC)CCCC)CCCCCO.Cl
SPLASH splash10-00di-0902000000-d3ff076eb433cdcc9d76
Source of Spectrum D8-329-196-10
Synonyms 5-({12-[(5-hydroxypentyl)amino]hexadecan-5-yl}amino)pentan-1-ol oxalic acid dihydrochloride N,N'-(5,12)-Hexadecane-bis(5'-aminopentanol)-oxalate-dihydrochloride
Wiley ID 1516194