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2-[hydroxy-[2-hydroxy-3-[octadeca-6,9,12-trienoyl]oxy-propoxy]phosphoryl]oxyethyl-trimethyl-ammonium
SpectraBase Compound ID LhuKc7d59eM
InChI InChI=1S/C26H48NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h9-10,12-13,15-16,25,28H,5-8,11,14,17-24H2,1-4H3
InChIKey MRTUWVDDQVMUCR-UHFFFAOYSA-N
Mol Weight 517.6 g/mol
Molecular Formula C26H48NO7P
Exact Mass 517.31684 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1lINaRq7u4
Name 2-[hydroxy-[2-hydroxy-3-[octadeca-6,9,12-trienoyl]oxy-propoxy]phosphoryl]oxyethyl-trimethyl-ammonium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H48NO7P
InChI InChI=1S/C26H48NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h9-10,12-13,15-16,25,28H,5-8,11,14,17-24H2,1-4H3
InChIKey MRTUWVDDQVMUCR-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 517.644 g/mol
SMILES OC(COC(CCCCC=CCC=CCC=CCCCCC)=O)COP(OCC[N+](C)(C)C)(=O)[O-]
SPLASH splash10-0uxr-2900080000-f3c06070243cc906b6b0
Source of Spectrum CA2644330C
Wiley ID 1844509