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1-Palmitoyllysophosphatidic acid, 3O-tms

View entire compound with spectra: 1 NMR

1-Palmitoyllysophosphatidic acid, 3O-tms
SpectraBase Compound ID 9Hvyw13X3J4
InChI InChI=1S/C28H63O7PSi3/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28(29)31-25-27(33-37(2,3)4)26-32-36(30,34-38(5,6)7)35-39(8,9)10/h27H,11-26H2,1-10H3
InChIKey GZCHCRMPCKFYBX-UHFFFAOYSA-N
Mol Weight 627.0 g/mol
Molecular Formula C28H63O7PSi3
Exact Mass 626.361921 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6UmQhYn95Vp
Name 1-Palmitoyllysophosphatidic acid, 3O-tms
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 626.361920965 u
Formula C28H63O7PSi3
InChI InChI=1S/C28H63O7PSi3/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28(29)31-25-27(33-37(2,3)4)26-32-36(30,34-38(5,6)7)35-39(8,9)10/h27H,11-26H2,1-10H3
InChIKey GZCHCRMPCKFYBX-UHFFFAOYSA-N
Molecular Weight 627.034 g/mol
SMILES CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C