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(2R*,3R*)-2-Benzoyloxy-3-diphenylphosphinoyl-N-methoxy-N-methylheptanamide

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(2R*,3R*)-2-Benzoyloxy-3-diphenylphosphinoyl-N-methoxy-N-methylheptanamide
SpectraBase Compound ID 9LM1rjXSTZA
InChI InChI=1S/C28H32NO5P/c1-4-5-21-25(35(32,23-17-11-7-12-18-23)24-19-13-8-14-20-24)26(27(30)29(2)33-3)34-28(31)22-15-9-6-10-16-22/h6-20,25-26H,4-5,21H2,1-3H3/t25-,26+/m1/s1
InChIKey JEGDVYDAVAKBFR-FTJBHMTQSA-N
Mol Weight 493.5 g/mol
Molecular Formula C28H32NO5P
Exact Mass 493.20181 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LunGFH3M7H5
Name (2R*,3R*)-2-Benzoyloxy-3-diphenylphosphinoyl-N-methoxy-N-methylheptanamide
Alternate Name(s) (1R,2R)-2-(diphenylphosphoryl)-1-{[methoxy(methyl)amino]carbonyl}hexyl benzoate benzoic acid[(1R,2R)-2-diphenylphosphoryl-1-[methoxy(methyl)carbamoyl]hexyl]ester benzoic acid[(2R,3R)-3-diphenylphosphoryl-1-[methoxy(methyl)amino]-1-oxoheptan-2-yl]ester [(1R,2R)-2-diphenylphosphoryl-1-[methoxy(methyl)carbamoyl]hexyl]benzoate [(2R,3R)-3-diphenylphosphoryl-1-[methoxy(methyl)amino]-1-oxidanylidene-heptan-2-yl]benzoate [(2R,3R)-3-diphenylphosphoryl-1-[methoxy(methyl)amino]-1-oxoheptan-2-yl]benzoate benzoic acid [(2R,3R)-3-diphenylphosphoryl-1-[methoxy(methyl)amino]-1-oxoheptan-2-yl] ester [(2R,3R)-3-diphenylphosphoryl-1-[methoxy(methyl)amino]-1-oxoheptan-2-yl] benzoate [(1R,2R)-2-diphenylphosphoryl-1-[methoxy(methyl)carbamoyl]hexyl] benzoate [(2R,3R)-3-diphenylphosphoryl-1-[methoxy(methyl)amino]-1-oxidanylidene-heptan-2-yl] benzoate
Comments Less than 3 mono-isotopic peaks
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Formula C28H32NO5P
InChI InChI=1S/C28H32NO5P/c1-4-5-21-25(35(32,23-17-11-7-12-18-23)24-19-13-8-14-20-24)26(27(30)29(2)33-3)34-28(31)22-15-9-6-10-16-22/h6-20,25-26H,4-5,21H2,1-3H3/t25-,26+/m1/s1
InChIKey JEGDVYDAVAKBFR-FTJBHMTQSA-N
Molecular Weight 493.540 g/mol
SMILES [C@@]([C@](P(=O)(c1ccccc1)c1ccccc1)(CCCC)[H])(C(N(OC)C)=O)(OC(=O)c1ccccc1)[H]
SPLASH splash10-0a4i-0900100000-7fae5008313f53f66b48
Source of Spectrum KC-0-1991-23
Wiley ID 828704