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DL-Lysine, N2,N6-bis[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylene]-, methyl ester, (E,E)-
SpectraBase Compound ID LHDIeo7MzCF
InChI InChI=1S/C23H30N4O6/c1-14-21(30)18(16(12-28)8-25-14)10-24-7-5-4-6-20(23(32)33-3)27-11-19-17(13-29)9-26-15(2)22(19)31/h8-11,20,28-31H,4-7,12-13H2,1-3H3/b24-10+,27-11+
InChIKey GFEVGRFRGGTDMF-BEEVKPKUSA-N
Mol Weight 458.52 g/mol
Molecular Formula C23H30N4O6
Exact Mass 458.216535 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8K638W1h6BM
Name DL-Lysine, N2,N6-bis[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylene]-, methyl ester, (E,E)-
CAS Registry Number 122886-33-3
Comments Less than 3 mono-isotopic peaks
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Formula C23H30N4O6
InChI InChI=1S/C23H30N4O6/c1-14-21(30)18(16(12-28)8-25-14)10-24-7-5-4-6-20(23(32)33-3)27-11-19-17(13-29)9-26-15(2)22(19)31/h8-11,20,28-31H,4-7,12-13H2,1-3H3/b24-10+,27-11+
InChIKey GFEVGRFRGGTDMF-BEEVKPKUSA-N
Molecular Weight 458.515 g/mol
SMILES OCc1cnc(c(c1\C=N\CCCCC(\N=C\c1c(c(ncc1CO)C)O)C(=O)OC)O)C
SPLASH splash10-0udi-0900000000-bb1329b2a0dd0614edc2
Source of Spectrum F-44-7290-7
Synonyms methyl 2,6-bis({(E)-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylidene}amino)hexanoate N,N-di(pyridoxylidene)lysine methyl ester
Wiley ID 1389817