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(2S,3R)-1-Diphenylphiosphinoyl-2-methylheptan-3-yl benzoate
SpectraBase Compound ID 7H899FsnF85
InChI InChI=1S/C27H31O3P/c1-3-4-20-26(30-27(28)23-14-8-5-9-15-23)22(2)21-31(29,24-16-10-6-11-17-24)25-18-12-7-13-19-25/h5-19,22,26H,3-4,20-21H2,1-2H3/t22-,26-/m1/s1
InChIKey YKHCNYLUUFRMKM-ATIYNZHBSA-N
Mol Weight 434.52 g/mol
Molecular Formula C27H31O3P
Exact Mass 434.201082 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4zCBeXbPGK
Name (2S,3R)-1-Diphenylphiosphinoyl-2-methylheptan-3-yl benzoate
Alternate Name(s) (1R)-1-[(1S)-2-(diphenylphosphoryl)-1-methylethyl]pentyl benzoate Benzoic acid (R)-1-[(S)-2-(diphenyl-phosphinoyl)-1-methyl-ethyl]-pentyl ester benzoic acid[(1R)-1-[(1S)-2-diphenylphosphoryl-1-methyl-ethyl]pentyl]ester benzoic acid[(2S,3R)-1-diphenylphosphoryl-2-methylheptan-3-yl]ester [(2S,3R)-1-diphenylphosphoryl-2-methyl-heptan-3-yl]benzoate benzoic acid [(2S,3R)-1-diphenylphosphoryl-2-methylheptan-3-yl] ester [(2S,3R)-1-diphenylphosphoryl-2-methylheptan-3-yl] benzoate [(1R)-1-[(1S)-2-diphenylphosphoryl-1-methyl-ethyl]pentyl] benzoate [(2S,3R)-1-diphenylphosphoryl-2-methyl-heptan-3-yl] benzoate
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Formula C27H31O3P
InChI InChI=1S/C27H31O3P/c1-3-4-20-26(30-27(28)23-14-8-5-9-15-23)22(2)21-31(29,24-16-10-6-11-17-24)25-18-12-7-13-19-25/h5-19,22,26H,3-4,20-21H2,1-2H3/t22-,26-/m1/s1
InChIKey YKHCNYLUUFRMKM-ATIYNZHBSA-N
Molecular Weight 434.516 g/mol
SMILES C(P(=O)(c1ccccc1)c1ccccc1)[C@]([C@](OC(=O)c1ccccc1)(CCCC)[H])(C)[H]
SPLASH splash10-0pfr-0979000000-0307ad09ec12e8e2c249
Source of Spectrum KC-0-3421-25
Wiley ID 829576