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(1S,2S)-1,2-Bis(4-methoxybenzoyloxy)-4-diphenylphosphinoyl-1-(4-methoxyphenyl)butane

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(1S,2S)-1,2-Bis(4-methoxybenzoyloxy)-4-diphenylphosphinoyl-1-(4-methoxyphenyl)butane
SpectraBase Compound ID 4NN8jxbdaVR
InChI InChI=1S/C39H37O8P/c1-43-31-20-14-28(15-21-31)37(47-39(41)30-18-24-33(45-3)25-19-30)36(46-38(40)29-16-22-32(44-2)23-17-29)26-27-48(42,34-10-6-4-7-11-34)35-12-8-5-9-13-35/h4-25,36-37H,26-27H2,1-3H3/t36-,37-/m0/s1
InChIKey LNUSRKPNTALXTO-BCRBLDSWSA-N
Mol Weight 664.7 g/mol
Molecular Formula C39H37O8P
Exact Mass 664.222605 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I5a8xOTeUma
Name (1S,2S)-1,2-bis(4-Methoxybenzoyloxy)-4-diphenylphosphinoyl-1-(4-methoxyphenyl)butane
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 664.222605141 u
Formula C39H37O8P
InChI InChI=1S/C39H37O8P/c1-43-31-20-14-28(15-21-31)37(47-39(41)30-18-24-33(45-3)25-19-30)36(46-38(40)29-16-22-32(44-2)23-17-29)26-27-48(42,34-10-6-4-7-11-34)35-12-8-5-9-13-35/h4-25,36-37H,26-27H2,1-3H3/t36-,37-/m0/s1
InChIKey LNUSRKPNTALXTO-BCRBLDSWSA-N
Molecular Weight 664.691 g/mol
SMILES C(P(=O)(C1=CC=CC=C1)C=1C=CC=CC1)C[C@@]([C@@](OC(C=1C=CC(=CC1)OC)=O)(C=1C=CC(=CC1)OC)[H])(OC(C1=CC=C(C=C1)OC)=O)[H]