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xi(C)(D)

View entire compound with spectra: 2 NMR

xi(C)(D)
SpectraBase Compound ID cmofFS7ei
InChI InChI=1S/C27H39O5P/c1-18-12-11-13-19(2)23(18)31-33(28-16-27(9,10)17-29-33)30-22-15-20(25(3,4)5)14-21(24(22)32-33)26(6,7)8/h11-15H,16-17H2,1-10H3
InChIKey AANNJVYIPBYUGT-UHFFFAOYSA-N
Mol Weight 474.6 g/mol
Molecular Formula C27H39O5P
Exact Mass 474.253511 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I46kCRPbd66
Name xi(C)(D)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 474.253511349 u
Formula C27H39O5P
InChI InChI=1S/C27H39O5P/c1-18-12-11-13-19(2)23(18)31-33(28-16-27(9,10)17-29-33)30-22-15-20(25(3,4)5)14-21(24(22)32-33)26(6,7)8/h11-15H,16-17H2,1-10H3
InChIKey AANNJVYIPBYUGT-UHFFFAOYSA-N
Molecular Weight 474.578 g/mol
SMILES C1(OP23(OC=4C=C(C(C)(C)C)C=C(C(C)(C)C)C4O3)OCC(C)(C)CO2)=C(C)C=CC=C1C