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1,2-Dipalmitoyl-rac-glycero-3-(N-methyl-N-trimethylethylammonio)amidophosphate

View entire compound with spectra: 2 NMR

1,2-Dipalmitoyl-rac-glycero-3-(N-methyl-N-trimethylethylammonio)amidophosphate
SpectraBase Compound ID 56mmlOLyzOx
InChI InChI=1S/C41H83N2O7P/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)48-37-39(38-49-51(46,47)42(3)35-36-43(4,5)6)50-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-2/h39H,7-38H2,1-6H3
InChIKey JWNADROERNEMGR-UHFFFAOYSA-N
Mol Weight 747.1 g/mol
Molecular Formula C41H83N2O7P
Exact Mass 746.59379 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CD3WnypE2q2
Name 1,2-Dipalmitoyl-rac-glycero-3-(N-methyl-N-trimethylethylammonio)amidophosphate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 746.593790012 u
Formula C41H83N2O7P
InChI InChI=1S/C41H83N2O7P/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)48-37-39(38-49-51(46,47)42(3)35-36-43(4,5)6)50-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-2/h39H,7-38H2,1-6H3
InChIKey JWNADROERNEMGR-UHFFFAOYSA-N
Molecular Weight 747.096 g/mol
SMILES C(C(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)OP(=O)([O-])N(C)CC[N+](C)(C)C