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2-[5-(2-hydroxyethyl)-4-methyl-1H-imidazol-3-ium-3-yl]acetic acid cetyl ester
SpectraBase Compound ID 9JmueidX5G1
InChI InChI=1S/C24H44N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-29-24(28)20-26-21-25-23(17-18-27)22(26)2/h21,27H,3-20H2,1-2H3/p+1
InChIKey NQDFUCBBVLUQBZ-UHFFFAOYSA-O
Mol Weight 409.6 g/mol
Molecular Formula C24H45N2O3
Exact Mass 409.343018 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HGEaif2uynt
Name 2-[5-(2-hydroxyethyl)-4-methyl-1H-imidazol-3-ium-3-yl]acetic acid cetyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H45N2O3
InChI InChI=1S/C24H44N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-29-24(28)20-26-21-25-23(17-18-27)22(26)2/h21,27H,3-20H2,1-2H3/p+1
InChIKey NQDFUCBBVLUQBZ-UHFFFAOYSA-O
Molecular Weight 409.635 g/mol
SMILES [nH]1c[n+](c(c1CCO)C)CC(=O)OCCCCCCCCCCCCCCCC
SPLASH splash10-052f-9000000000-5113bb14e77d2d66b882
Synonyms 2-[5-(2-hydroxyethyl)-4-methyl-1H-imidazol-3-ium-3-yl]acetic acid hexadecyl ester 3-[2-(hexadecyloxy)-2-oxoethyl]-5-(2-hydroxyethyl)-4-methyl-1H-imidazol-3-ium Hexadecyl 2-[5-(2-hydroxyethyl)-4-methyl-1H-imidazol-3-ium-3-yl]acetate Hexadecyl 2-[5-(2-hydroxyethyl)-4-methyl-1H-imidazol-3-ium-3-yl]ethanoate
Wiley ID 1470524