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4-(3,5-Dioxa-4-phosphacyclohepta-[2.1-alpha;3.4-alpha']-dinaphthalene-4-yloxy)-heptane

View entire compound with spectra: 2 NMR

4-(3,5-Dioxa-4-phosphacyclohepta-[2.1-alpha;3.4-alpha']-dinaphthalene-4-yloxy)-heptane
SpectraBase Compound ID L8uQlMpf1gR
InChI InChI=1S/C27H27O3P/c1-3-9-21(10-4-2)28-31-29-24-17-15-19-11-5-7-13-22(19)26(24)27-23-14-8-6-12-20(23)16-18-25(27)30-31/h5-8,11-18,21H,3-4,9-10H2,1-2H3
InChIKey DQIIIPSPELVBLB-UHFFFAOYSA-N
Mol Weight 430.48 g/mol
Molecular Formula C27H27O3P
Exact Mass 430.169782 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KTDrQkkXaT5
Name 4-(3,5-Dioxa-4-phosphacyclohepta-[2.1-alpha;3.4-alpha']-dinaphthalene-4-yloxy)-heptane
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 430.169781724 u
Formula C27H27O3P
InChI InChI=1S/C27H27O3P/c1-3-9-21(10-4-2)28-31-29-24-17-15-19-11-5-7-13-22(19)26(24)27-23-14-8-6-12-20(23)16-18-25(27)30-31/h5-8,11-18,21H,3-4,9-10H2,1-2H3
InChIKey DQIIIPSPELVBLB-UHFFFAOYSA-N
Molecular Weight 430.484 g/mol
SMILES C(OP1OC2=CC=C3C=CC=CC3=C2C2=C3C=CC=CC3=CC=C2O1)(CCC)CCC