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2-(methylazaniumyl)ethyl octadecane-1-phosphate
SpectraBase Compound ID IbqpOXEzhs8
InChI InChI=1S/C21H46NO4P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25-27(23,24)26-21-19-22-2/h22H,3-21H2,1-2H3,(H,23,24)
InChIKey ZBYQFESJGWCDLT-UHFFFAOYSA-N
Mol Weight 407.6 g/mol
Molecular Formula C21H46NO4P
Exact Mass 407.316446 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B5H0qi4wYoh
Name 2-(methylazaniumyl)ethyl octadecane-1-phosphate
Alternate Name(s) (2-methylammonioethyl)(p-octadecyl) phosphate 2-(methylazaniumyl)ethyl octadecane-1-phosphate
CAS Registry Number 104702-34-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H46NO4P
InChI InChI=1S/C21H46NO4P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25-27(23,24)26-21-19-22-2/h22H,3-21H2,1-2H3,(H,23,24)
InChIKey ZBYQFESJGWCDLT-UHFFFAOYSA-N
Molecular Weight 407.576 g/mol
SMILES [NH2+](CCOP([O-])(=O)OCCCCCCCCCCCCCCCCCC)C
SPLASH splash10-0a4i-9000000000-14db4a7941fdfc115ed0
Source of Spectrum KC-1990-786-4c
Wiley ID 1372564