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

View entire compound with spectra: 2 NMR

dl-cis-2-Phenyl-4-dibutylphosphonomethyl-5-pentadecyl-DELTA2-oxazoline
SpectraBase Compound ID 1St0k7icXu3
InChI InChI=1S/C33H58NO4P/c1-4-7-10-11-12-13-14-15-16-17-18-19-23-26-32-31(34-33(38-32)30-24-21-20-22-25-30)29-39(35,36-27-8-5-2)37-28-9-6-3/h20-22,24-25,31-32H,4-19,23,26-29H2,1-3H3/t31-,32+/m0/s1
InChIKey UDYIVQUYFTUUGD-AJQTZOPKSA-N
Mol Weight 563.8 g/mol
Molecular Formula C33H58NO4P
Exact Mass 563.410346 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HNLVCR0Nydf
Name dl-cis-2-Phenyl-4-dibutylphosphonomethyl-5-pentadecyl-DELTA2-oxazoline
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 563.410346346 u
Formula C33H58NO4P
InChI InChI=1S/C33H58NO4P/c1-4-7-10-11-12-13-14-15-16-17-18-19-23-26-32-31(34-33(38-32)30-24-21-20-22-25-30)29-39(35,36-27-8-5-2)37-28-9-6-3/h20-22,24-25,31-32H,4-19,23,26-29H2,1-3H3/t31-,32+/m0/s1
InChIKey UDYIVQUYFTUUGD-AJQTZOPKSA-N
Molecular Weight 563.804 g/mol
SMILES C1(=N[C@]([C@](O1)(CCCCCCCCCCCCCCC)[H])(CP(OCCCC)(=O)OCCCC)[H])c1ccccc1