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Tris(4-nonylphenyl)phosphane

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Tris(4-nonylphenyl)phosphane
SpectraBase Compound ID 8MREjHSuMOc
InChI InChI=1S/C45H69P/c1-4-7-10-13-16-19-22-25-40-28-34-43(35-29-40)46(44-36-30-41(31-37-44)26-23-20-17-14-11-8-5-2)45-38-32-42(33-39-45)27-24-21-18-15-12-9-6-3/h28-39H,4-27H2,1-3H3
InChIKey JNJGSDYMEKOBPD-UHFFFAOYSA-N
Mol Weight 641.0 g/mol
Molecular Formula C45H69P
Exact Mass 640.513689 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KHkikoXM0vm
Name Tris(4-nonylphenyl)phosphane
Comments Computed using HOSE algorithm
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Exact Mass 640.513689220 u
Formula C45H69P
InChI InChI=1S/C45H69P/c1-4-7-10-13-16-19-22-25-40-28-34-43(35-29-40)46(44-36-30-41(31-37-44)26-23-20-17-14-11-8-5-2)45-38-32-42(33-39-45)27-24-21-18-15-12-9-6-3/h28-39H,4-27H2,1-3H3
InChIKey JNJGSDYMEKOBPD-UHFFFAOYSA-N
Molecular Weight 641.021 g/mol
SMILES C=1(P(C=2C=CC(=CC2)CCCCCCCCC)C=2C=CC(=CC2)CCCCCCCCC)C=CC(=CC1)CCCCCCCCC