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3-Pyridinylmethyl 18-oxo-18-(1-pyrrolidinyl)octadecanoate
SpectraBase Compound ID JgHfFcjXD51
InChI InChI=1S/C28H46N2O3/c31-27(30-22-15-16-23-30)19-13-11-9-7-5-3-1-2-4-6-8-10-12-14-20-28(32)33-25-26-18-17-21-29-24-26/h17-18,21,24H,1-16,19-20,22-23,25H2
InChIKey RXLLZXFTVWBJKO-UHFFFAOYSA-N
Mol Weight 458.7 g/mol
Molecular Formula C28H46N2O3
Exact Mass 458.350843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LYP5W6qDMni
Name 3-Pyridinylmethyl 18-oxo-18-(1-pyrrolidinyl)octadecanoate
CAS Registry Number 118268-05-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H46N2O3
InChI InChI=1S/C28H46N2O3/c31-27(30-22-15-16-23-30)19-13-11-9-7-5-3-1-2-4-6-8-10-12-14-20-28(32)33-25-26-18-17-21-29-24-26/h17-18,21,24H,1-16,19-20,22-23,25H2
InChIKey RXLLZXFTVWBJKO-UHFFFAOYSA-N
Molecular Weight 458.687 g/mol
SMILES c1cc(cnc1)COC(CCCCCCCCCCCCCCCCC(N1CCCC1)=O)=O
SPLASH splash10-074m-9402000000-353522b3adc64d1e56a5
Source of Spectrum O-23-570-0
Synonyms 1,16-Hexadecanedicarboxylic acid,monopyrrolidide, 3-pyridylmethyl ester 1,18-Dioxo-1-[(pyridin-3-yl)methoxy]-18-(pyrrolidin-1-yl)-octadecane 18-keto-18-pyrrolidino-stearic acid 3-pyridylmethyl ester 18-oxo-18-(1-pyrrolidinyl)octadecanoic acid 3-pyridinylmethyl ester 3-Pyridylmethyl 18-oxo-18-pyrrolidin-1-yl-octadecanoate Pyridin-3-ylmethyl 18-oxidanylidene-18-pyrrolidin-1-yl-octadecanoate Pyridin-3-ylmethyl 18-oxo-18-pyrrolidin-1-yloctadecanoate
Wiley ID 1389979