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2-Propanol, 1-[[3-(butylphenylphosphinyl)propyl]phenylphosphinyl]-
SpectraBase Compound ID BYiY9Jy18u8
InChI InChI=1S/C22H32O3P2/c1-3-4-16-26(24,21-12-7-5-8-13-21)17-11-18-27(25,19-20(2)23)22-14-9-6-10-15-22/h5-10,12-15,20,23H,3-4,11,16-19H2,1-2H3
InChIKey ZSIKZLPHIDNEQH-UHFFFAOYSA-N
Mol Weight 406.4 g/mol
Molecular Formula C22H32O3P2
Exact Mass 406.182669 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3bCPbIYAuwJ
Name 2-Propanol, 1-[[3-(butylphenylphosphinyl)propyl]phenylphosphinyl]-
Comments Computed using HOSE algorithm
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Exact Mass 406.182668883 u
Formula C22H32O3P2
InChI InChI=1S/C22H32O3P2/c1-3-4-16-26(24,21-12-7-5-8-13-21)17-11-18-27(25,19-20(2)23)22-14-9-6-10-15-22/h5-10,12-15,20,23H,3-4,11,16-19H2,1-2H3
InChIKey ZSIKZLPHIDNEQH-UHFFFAOYSA-N
Molecular Weight 406.443 g/mol
SMILES C(P(=O)(C1=CC=CC=C1)CCCP(=O)(C1=CC=CC=C1)CCCC)C(O)C