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(2R,5R)-Dimethyl 1-[diphenylthiophosphonocarbonyl]pyrrolidin-2,5-biscarboxylate
SpectraBase Compound ID 42q5kO42nh9
InChI InChI=1S/C21H22NO6PS/c1-26-19(23)17-13-14-18(20(24)27-2)22(17)21(25)28-29(30,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17-18H,13-14H2,1-2H3/t17-,18-/m0/s1
InChIKey WXGYLFHPKLWJIV-ROUUACIJSA-N
Mol Weight 447.44 g/mol
Molecular Formula C21H22NO6PS
Exact Mass 447.090546 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HyrPlNKlq96
Name (2R,5R)-Dimethyl 1-[diphenylthiophosphonocarbonyl]pyrrolidin-2,5-biscarboxylate
Alternate Name(s) Dimethyl (2S,5S)-1-{[(diphenylphosphorothioyl)oxy]carbonyl}-2,5-pyrrolidinedicarboxylate trans-Dimethyl 1-[diphenylthiophosphonocarbonyl]pyrrolidin-2,5-biscarboxylate
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Formula C21H22NO6PS
InChI InChI=1S/C21H22NO6PS/c1-26-19(23)17-13-14-18(20(24)27-2)22(17)21(25)28-29(30,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17-18H,13-14H2,1-2H3/t17-,18-/m0/s1
InChIKey WXGYLFHPKLWJIV-ROUUACIJSA-N
Molecular Weight 447.442 g/mol
SMILES C(N1[C@](C(=O)OC)(CC[C@]1(C(=O)OC)[H])[H])(OP(=S)(c1ccccc1)c1ccccc1)=O
SPLASH splash10-03dr-0690300000-dc408fe224dc60239eab
Source of Spectrum J-65-3447-3
Wiley ID 1532315