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dl-cis-2-Phenyl-4-diethylphosphonomethyl-5-pentadecyl-DELTA2-oxazoline

View entire compound with spectra: 2 NMR

dl-cis-2-Phenyl-4-diethylphosphonomethyl-5-pentadecyl-DELTA2-oxazoline
SpectraBase Compound ID H3QTlkEOt4Z
InChI InChI=1S/C29H50NO4P/c1-4-7-8-9-10-11-12-13-14-15-16-17-21-24-28-27(25-35(31,32-5-2)33-6-3)30-29(34-28)26-22-19-18-20-23-26/h18-20,22-23,27-28H,4-17,21,24-25H2,1-3H3/t27-,28+/m0/s1
InChIKey SCMYQVJSTIIABS-WUFINQPMSA-N
Mol Weight 507.7 g/mol
Molecular Formula C29H50NO4P
Exact Mass 507.347746 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7qx4JxIhHev
Name dl-cis-2-Phenyl-4-diethylphosphonomethyl-5-pentadecyl-DELTA2-oxazoline
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 507.347746088 u
Formula C29H50NO4P
InChI InChI=1S/C29H50NO4P/c1-4-7-8-9-10-11-12-13-14-15-16-17-21-24-28-27(25-35(31,32-5-2)33-6-3)30-29(34-28)26-22-19-18-20-23-26/h18-20,22-23,27-28H,4-17,21,24-25H2,1-3H3/t27-,28+/m0/s1
InChIKey SCMYQVJSTIIABS-WUFINQPMSA-N
Molecular Weight 507.696 g/mol
SMILES C1(=N[C@]([C@](O1)(CCCCCCCCCCCCCCC)[H])(CP(OCC)(=O)OCC)[H])c1ccccc1