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(3rs,4rs,5rs)-(3rs,4rs,5sr), (3rs,4sr,5rs)- ans (3rs,4sr,5sr)-4-Diphenylphosphinoyl-5-methylhept-1-en-3-yl acetate
SpectraBase Compound ID JxkcACzvhIB
InChI InChI=1S/C22H27O3P/c1-5-17(3)22(21(6-2)25-18(4)23)26(24,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h6-17,21-22H,2,5H2,1,3-4H3
InChIKey UCKIATCBRYMOKB-UHFFFAOYSA-N
Mol Weight 370.43 g/mol
Molecular Formula C22H27O3P
Exact Mass 370.169782 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BhLJtVn5ITI
Name (3rs,4rs,5rs)-(3rs,4rs,5sr), (3rs,4sr,5rs)- ans (3rs,4sr,5sr)-4-Diphenylphosphinoyl-5-methylhept-1-en-3-yl acetate
Comments Computed using HOSE algorithm
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Exact Mass 370.169781724 u
Formula C22H27O3P
InChI InChI=1S/C22H27O3P/c1-5-17(3)22(21(6-2)25-18(4)23)26(24,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h6-17,21-22H,2,5H2,1,3-4H3
InChIKey UCKIATCBRYMOKB-UHFFFAOYSA-N
Molecular Weight 370.429 g/mol
SMILES C(P(=O)(C1=CC=CC=C1)C=1C=CC=CC1)(C(OC(=O)C)C=C)C(CC)C