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(+)-Quinine, 2-(Diphenylphosphino)benzoate ester
SpectraBase Compound ID 7IPLcdd8lpN
InChI InChI=1S/C39H37N2O3P/c1-3-27-26-41-23-21-28(27)24-36(41)38(32-20-22-40-35-19-18-29(43-2)25-34(32)35)44-39(42)33-16-10-11-17-37(33)45(30-12-6-4-7-13-30)31-14-8-5-9-15-31/h3-20,22,25,27-28,36,38H,1,21,23-24,26H2,2H3/t27-,28+,36-,38+/m0/s1
InChIKey VJZCJZVVQPKTQX-KHOZGHFPSA-N
Mol Weight 612.7 g/mol
Molecular Formula C39H37N2O3P
Exact Mass 612.25418 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9ytoULnkKVb
Name (+)-Quinine, 2-(Diphenylphosphino)benzoate ester
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Formula C39H37N2O3P
InChI InChI=1S/C39H37N2O3P/c1-3-27-26-41-23-21-28(27)24-36(41)38(32-20-22-40-35-19-18-29(43-2)25-34(32)35)44-39(42)33-16-10-11-17-37(33)45(30-12-6-4-7-13-30)31-14-8-5-9-15-31/h3-20,22,25,27-28,36,38H,1,21,23-24,26H2,2H3/t27-,28+,36-,38+/m0/s1
InChIKey VJZCJZVVQPKTQX-KHOZGHFPSA-N
Molecular Weight 612.710 g/mol
SMILES c1(c(P(c2ccccc2)c2ccccc2)cccc1)C(O[C@@]([C@]1(N2C[C@@]([C@@](C1)(CC2)[H])(C=C)[H])[H])(c1c2c(ccc(c2)OC)ncc1)[H])=O
SPLASH splash10-0a4i-0109000000-05be562bf5c1e19b47f0
Source of Spectrum C-114-9338-3
Synonyms (3alpha,8alpha,9R)-6'-methoxycinchonan-9-yl 2-(diphenylphosphino)benzoate
Wiley ID 1411091